Cas no 97-77-8 (Disulfiram)

Disulfiram is a thiuram derivative primarily used as an alcohol-aversion agent in the management of chronic alcoholism. Its mechanism of action involves irreversible inhibition of aldehyde dehydrogenase, leading to the accumulation of acetaldehyde upon ethanol consumption, thereby producing unpleasant physiological effects. This pharmacological property ensures patient compliance in abstinence programs. Disulfiram is also investigated for its potential applications in metal toxicity treatment due to its chelating properties. The compound exhibits stability under standard storage conditions and is administered orally, typically in tablet form. Its well-documented efficacy and established safety profile make it a clinically relevant option for alcohol dependence therapy when supervised by healthcare professionals.
Disulfiram structure
Disulfiram structure
Product Name:Disulfiram
CAS No:97-77-8
MF:C10H20N2S4
MW:296.539196968079
MDL:MFCD00009048
CID:34918
PubChem ID:3117
Update Time:2026-01-06

Disulfiram Chemical and Physical Properties

Names and Identifiers

    • Tetraethylthiuram disulfide
    • TETD
    • bis(diethylthiocarbamoyl) disulfide
    • disulfiram
    • tetraethylthiuram disulphide
    • accelerator tetd
    • bis (diethylthiocarbamyl) disulfide
    • ethylthiudad
    • ethyltuex
    • etyl tuex
    • exhoran
    • exhorran
    • formamide, 1,1'-dithiobis(n,n-diethylthio)-
    • hoca
    • hocakrotenalnci-c02959
    • hydrogendisulfide
    • hydrogenpersulfid
    • krotenal
    • n,n,n',n'-tetraethylthiuram disulfide
    • n,n,n',n'-tetraethylthiuram disulphide
    • nci-c02959
    • nocbin
    • nsc 190940
    • perkacit tetd
    • perkait tetd
    • 1,1',1'',1'''-{Disulfanediylbis[(thioxomethylene)-nitrilo]}tetraethane
    • 1,1-Dithiobis(N,N-diethylthioformamide)
    • 1,1`-Dithiobis(N,N-diethylthioformamide)
    • Abstenisil
    • N1,N1,N3,N3-tetraethyl-2-dithioperoxy-1,3-dithiodicarbonic diamide
    • Tetraethylthioperoxydicarbonic diaMide
    • tetraethylthioperoxydicarbonic diamide ([[(C2H5)2N]C(S)]2S2)
    • TTD
    • Antabuse
    • Antabus
    • Teturam
    • Esperal
    • Anticol
    • Alcophobin
    • Dicupral
    • Ethyldithiurame
    • Teturamin
    • Tetraetil
    • Contralin
    • Antietanol
    • Antaethyl
    • Tetradine
    • Antivitium
    • Abstensil
    • Aversan
    • Abstinil
    • Refusal
    • Averzan
    • Antetil
    • Antetan
    • Abstinyl
    • Antalcol
    • Antadix
    • Cronetal
    • Antikol
    • Antietil
    • Etabus
    • Ethyl tuads
    • Ethyl Thiurad
    • Ethyl Thiram
    • Ethyl Tuex
    • Disulfuram
    • Contrapot
    • Antiaethan
    • Stopetyl
    • Thiuranide
    • Ephorran
    • Antaetil
    • Di
    • Disulfide, bis(diethylthiocarbamoyl) (8CI)
    • N,N,N′,N′-Tetraethylthioperoxydicarbonic diamide ([(H2N)C(S)]2S2) (ACI)
    • Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetraethyl- (9CI)
    • Accel TET
    • Accel TET-R
    • Accelerator TET
    • Akrochem TETD
    • Bis(N,N-diethylthiocarbamoyl) disulfide
    • Curebead PB 75
    • Curekind TETD
    • Ekagom DTET
    • Ekagom TEDS
    • Ekagom TETDS
    • Espenal
    • Etiltox
    • N,N,N′,N′-Tetraethyldithiuram disulfide
    • N,N,N′,N′-Tetraethylthiuram disulfide
    • Disulfiram
    • MDL: MFCD00009048
    • Inchi: 1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
    • InChI Key: AUZONCFQVSMFAP-UHFFFAOYSA-N
    • SMILES: S=C(N(CC)CC)SSC(N(CC)CC)=S
    • BRN: 1712560

Computed Properties

  • Exact Mass: 296.05100
  • Monoisotopic Mass: 296.050931
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 201
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.9
  • Topological Polar Surface Area: 121

Experimental Properties

  • Color/Form: Yellowish white crystals
  • Density: 1.27
  • Melting Point: 69-71?°C (lit.)
  • Boiling Point: 117 oC
  • Flash Point: 117°C/17mm
  • Refractive Index: 1.5500 (estimate)
  • Solubility: 0.004g/l
  • Water Partition Coefficient: 0.02 g/100 mL
  • Stability/Shelf Life: Stable. Incompatible with strong oxidants.
  • PSA: 121.26000
  • LogP: 3.62120
  • Merck: 3364
  • FEMA: 2440
  • Solubility: Insoluble in water, slightly soluble in acetone, soluble in benzene, chloroform, carbon disulfide.

Disulfiram Security Information

  • Symbol: GHS07 GHS08 GHS09
  • Prompt:dangerous
  • Signal Word:Warning
  • Hazard Statement: H302,H317,H373,H410
  • Warning Statement: P273,P280,P501
  • Hazardous Material transportation number:UN 3077 9/PG 3
  • WGK Germany:3
  • Hazard Category Code: 22-43-48/22-50/53
  • Safety Instruction: S24-S37-S60-S61
  • RTECS:JO1225000
  • Hazardous Material Identification: Xn N
  • Safety Term:9
  • Packing Group:III
  • Risk Phrases:R22; R43; R48/22; R50/53
  • HazardClass:9
  • PackingGroup:III
  • TSCA:Yes
  • Toxicity:LD50 orally in rats: 8.6 g/kg (Child, Cramp)
  • Storage Condition:Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month

Disulfiram Customs Data

  • HS CODE:29303000
  • Customs Data:

    China Customs Code:

    29303000

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Disulfiram Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Sulfuric acid ,  Hydrogen peroxide Solvents: Water ;  20 °C
1.1 Solvents: Ethanol ;  1 min, 20 - 30 °C; 5 min, 20 - 30 °C
1.1 Reagents: Manganese diacetate ,  Oxygen Solvents: Isopropanol ;  90 min, 1.7 bar, 50 °C
Reference
Preparation method of rubber vulcanization accelerator tetraalkyl thiuram disulfide using continuous micro-reaction systemPreparation method of tetrahydrocarbyl thiuram disulfide by photocatalytic oxidationDevelopment of an improved method for conversion of thiuram disulfides into N,N-dialkylcarbamoyl halides and derivatives
Adeppa, K.; et al, China, 2011, 41(2), 285-290

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Solvents: Methanol ,  Water
Reference
Diethyldithiocarbamic acid S-oxide: a new class of sulfine
Watanabe, Yoshihito; et al, Journal of Organic Chemistry, 1988, 53(9), 2119-20

Production Method 3

Reaction Conditions
1.1 Catalysts: Diammonium cerium hexanitrate Solvents: Tetrahydrofuran ;  10 min, rt; 9 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Dichloromethane ,  Water ;  10 min, rt
1.1 Reagents: Oxygen Catalysts: 2407428-85-5 ;  20 - 40 °C
1.2 Solvents: Water ;  pH 8 - 10
1.1 Reagents: Oxygen Catalysts: (SP-4-1)-[2,3,7,8,12,13,17,18-Octaphenyl-21H,23H-porphinato(2-)-κN21,κN22,κN23,κ… ;  20 - 40 °C
1.2 Solvents: Water ;  pH 8 - 10
Reference
Cerium ammonium nitrate-catalyzed aerobic oxidative coupling of dithiocarbamates: facile synthesis of thioureas and bis(aminothiocarbonyl)disulfidesAza-substitution, benzo-annulation effects and catalytic activity of β-octaphenyl-substituted tetrapyrrolic macroheterocyclic cobalt complexes. I. heterogeneous catalysisAza-substitution, benzo-annulation effects and catalytic activity of β-octaphenyl-substituted tetrapyrrolic macroheterocyclic cobalt complexes. I. heterogeneous catalysis
Li, Tian-Tian; et al Vashurin, Artur; et al Vashurin, Artur; et al, RSC Advances, 2014, 4(75), 40054-40060

Production Method 4

Reaction Conditions
1.1 Catalysts: Pyrylium, 2,4,6-tris(4-methoxyphenyl)-, tetrafluoroborate(1-) (1:1) Solvents: Dichloromethane
1.1 Reagents: Tetrabutylammonium perchlorate ,  Tempo Solvents: Dichloromethane ;  3 h, rt
1.1 Catalysts: Pyrylium, 2,4,6-tris(4-methoxyphenyl)-, tetrafluoroborate(1-) (1:1) Solvents: Dichloromethane ;  12 h
Reference
Photoredox Catalysis in Photocontrolled Cationic Polymerizations of Vinyl EthersElectrochemically Controlled Cationic Polymerization of Vinyl EthersMechanistic Insight into the Photocontrolled Cationic Polymerization of Vinyl Ethers
Sifri, Renee J.; et al Peterson, Brian M.; et al Michaudel, Quentin; et al, Accounts of Chemical Research, 2022, 55(14), 1960-1971

Production Method 5

Reaction Conditions
Reference
Preparation of bis(ethylamino)disulfirams as ALDH1a1 and MAGL inhibitorsSARM1 enzyme activity inhibitor and use thereof in neurodegenerative diseasesCo-delivery of nanoparticle and molecular drug by hollow mesoporous organosilica for tumor-activated and photothermal-augmented chemotherapy of breast cancer
Zhang, Haixian; et al, United States, 2021, 19(1),

Production Method 6

Reaction Conditions
1.1 Solvents: Diethyl ether ;  30 min, 0 °C; 1.5 h, 0 °C; 1.5 h, rt
2.1 Reagents: Tetrabutylammonium perchlorate ,  Tempo Solvents: Dichloromethane ;  3 h, rt
Reference
Electrochemically Controlled Cationic Polymerization of Vinyl Ethers
Peterson, Brian M.; et al, Journal of the American Chemical Society, 2018, 140(6), 2076-2079

Production Method 7

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Diethyl ether ;  10 min, -78 °C; 1.5 h, -78 °C
2.1 Solvents: Diethyl ether ;  30 min, 0 °C; 1.5 h, 0 °C; 1.5 h, rt
3.1 Reagents: Tetrabutylammonium perchlorate ,  Tempo Solvents: Dichloromethane ;  3 h, rt
Reference
Electrochemically Controlled Cationic Polymerization of Vinyl Ethers
Peterson, Brian M.; et al, Journal of the American Chemical Society, 2018, 140(6), 2076-2079

Production Method 8

Reaction Conditions
1.1 Solvents: Toluene ;  3 h, 100 °C
Reference
Synthesis and Structure of Tetraphenylantimony N,N-Diethyldithiocarbamate
Sharutin, V. V.; et al, Russian Journal of General Chemistry (Translation of Zhurnal Obshchei Khimii), 2002, 72(9), 1379-1382

Production Method 9

Reaction Conditions
1.1 Solvents: Ethanol ;  rt; 4 h, 20 °C
1.2 -
Reference
Process for preparation of alkoxyamines by photolysis of dithiocarbamates
, France, , ,

Production Method 10

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Ethanol ,  Water
1.2 Solvents: Ethylene glycol
Reference
Alkylhydroxybenzyl dialkyldithiocarbamates-antioxidizing agents for hydrocarbons
Pereslegina, N. S.; et al, Neftekhimiya, 1986, 26(4), 563-70

Production Method 11

Reaction Conditions
1.1 Reagents: 3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine Solvents: Ethanol ,  Water ;  30 min, 40 °C
1.1 Reagents: Iodine Solvents: Acetonitrile ;  2 min, rt
1.1 Reagents: Diethylamine ,  Hydrogen peroxide
Reference
3,6-Di(pyridin-2-yl)-1,2,4,5-tetrazine (pytz) mediated metal-free mild oxidation of thiols to disulfides in aqueous mediumRadiosynthesis of [thiocarbonyl-11C]disulfiram and its first PET study in miceSimple one-pot synthesis of thioureas from amine, carbon disulfide and oxidants in water
Samanta, Suvendu; et al Ishii, Hideki; et al Milosavljevic, Milutin M.; et al, RSC Advances, 2016, 6(45), 39356-39363

Production Method 12

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Hydrochloric acid Solvents: Water
1.1 Reagents: Dimethyl sulfoxide ,  Chlorotrimethylsilane Catalysts: Cyanuric chloride Solvents: Dichloromethane ;  2 h, rt
1.1 Reagents: Iodine Solvents: Methanol ;  0 °C
Reference
Preparation of diethylthiocarbamoyl chlorideTrimethylchlorosilane (TMSCl) and cyanuric chloride (CC) catalyzed efficient oxidative coupling of thiols with dimethyl sulfoxideMechanistic Insight into the Photocontrolled Cationic Polymerization of Vinyl Ethers
Zhu, Xueyou; et al Karimi, Babak; et al Michaudel, Quentin; et al, Huaxue Shiji, 1992, 14(2), 113-14

Production Method 13

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Diethyl ether ;  10 min, -78 °C; 1.5 h, -78 °C
1.2 Solvents: Diethyl ether ;  30 min, 0 °C; 1.5 h, 0 °C; 1.5 h, rt
2.1 Reagents: Tetrabutylammonium perchlorate ,  Tempo Solvents: Dichloromethane ;  3 h, rt
Reference
Electrochemically Controlled Cationic Polymerization of Vinyl Ethers
Peterson, Brian M.; et al, Journal of the American Chemical Society, 2018, 140(6), 2076-2079

Production Method 14

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Ethanol ,  Water
1.2 -
Reference
Alkylhydroxybenzyl dialkyldithiocarbamates-antioxidizing agents for hydrocarbons
Pereslegina, N. S.; et al, Neftekhimiya, 1986, 26(4), 563-70

Production Method 15

Reaction Conditions
1.1 Solvents: Ethylene glycol
Reference
Alkylhydroxybenzyl dialkyldithiocarbamates-antioxidizing agents for hydrocarbons
Pereslegina, N. S.; et al, Neftekhimiya, 1986, 26(4), 563-70

Production Method 16

Reaction Conditions
1.1 Solvents: Methanol ,  Tetrahydrofuran ;  4 h, 35 °C
Reference
Interaction of wheat germ agglutinin with an N-acetylglucosamine-carrying telomer brush accumulated on a colloidal gold monolayer
Kitano, Hiromi; et al, Colloids and Surfaces, 2008, 61(1), 17-24

Production Method 17

Reaction Conditions
1.1 Solvents: Toluene ;  48 h, reflux
Reference
Chemically sensitized aqueous-based photothermographic emulsions and materials
, European Patent Organization, , ,

Production Method 18

Reaction Conditions
1.1 Solvents: Dichloromethane
Reference
Crystal structures of tellurium compounds Ph2Te(S2P(OEt)2)2 and of two modifications of Ph2Te(S2CNEt2)2Diorganyltellurium bis-(dialkylcarbamates) and -(dithiocarbamates)
Dakternieks, Dainis; et al Wieber, M.; et al, Journal of Organometallic Chemistry, 1988, 349(3), 305-14

Disulfiram Raw materials

Disulfiram Preparation Products

Disulfiram Suppliers

Suzhou Senfeida Chemical Co., Ltd
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Disulfiram Spectrogram

1H NMR JEOL CDCl3
1H NMR
GC-MS
GC-MS
13C NMR Varian CDCl3
13C NMR

Additional information on Disulfiram

Disulfiram (CAS No. 97-77-8): Chemical Profile and Recent Applications

Disulfiram, with the chemical formula C4H6NS2, is an organosulfur compound widely recognized for its pharmacological properties. Its CAS number, CAS No. 97-77-8, uniquely identifies it in the chemical and pharmaceutical industries. This compound has been extensively studied for its applications in medicine, particularly in the treatment of alcoholism and as a biochemical research tool.

The mechanism of action of Disulfiram revolves around its ability to inhibit the enzyme aldehyde dehydrogenase (ALDH). This inhibition leads to the accumulation of acetaldehyde, a toxic byproduct of alcohol metabolism, resulting in unpleasant symptoms such as nausea, vomiting, and headache when alcohol is consumed. These adverse effects serve as a deterrent to alcohol consumption, making it a valuable therapeutic agent in addiction management.

Recent research has expanded the understanding of Disulfiram's applications beyond its traditional use. Studies have explored its potential in combating parasitic infections, particularly those caused by protozoa like *Leishmania*. The compound's ability to disrupt mitochondrial function in these pathogens has been a focus of interest. Additionally, Disulfiram has shown promise in the development of novel anticancer agents, where its toxic effect on rapidly dividing cells could be leveraged.

In the field of biochemistry, Disulfiram has been utilized as a tool to study metabolic pathways involving aldehyde dehydrogenases. These enzymes are crucial in detoxifying various aldehydes and play a role in drug metabolism. By inhibiting ALDH, researchers can gain insights into the consequences of altered aldehyde levels in biological systems. This has implications for understanding diseases where ALDH dysfunction is implicated, such as certain types of cancer and neurodegenerative disorders.

The synthesis and characterization of derivatives of Disulfiram (CAS No. 97-77-8) have also been a subject of recent interest. Chemists have modified its structure to enhance its pharmacological properties or reduce side effects. For instance, derivatives with improved solubility or targeted delivery systems have been explored for more effective therapeutic outcomes. These modifications highlight the versatility of this compound and its potential for further medical applications.

The pharmacokinetics of Disulfiram have been thoroughly investigated to optimize its therapeutic use. Studies have examined its absorption, distribution, metabolism, and excretion (ADME) profiles in different populations. This research helps in determining appropriate dosages and identifying potential interactions with other medications. Understanding these pharmacokinetic parameters is essential for ensuring the safety and efficacy of Disulfiram in clinical settings.

The ethical considerations surrounding the use of Disulfiram have also been discussed in recent literature. While it is effective in promoting abstinence from alcohol, concerns about patient compliance and psychological dependence on the drug have been raised. Balancing its benefits with these considerations is crucial for responsible medical practice. Additionally, efforts are being made to educate patients about the mechanisms behind its effects to foster better adherence to treatment plans.

The future directions for research on Disulfiram (CAS No. 97-77-8) are promising and multifaceted. Advances in computational chemistry and molecular modeling are expected to aid in designing new derivatives with enhanced properties. Furthermore, exploring its role in combination therapies could lead to more effective strategies for treating alcoholism and other diseases associated with ALDH dysfunction.

In conclusion, Disulfiram, identified by its CAS number 97-77-8, remains a significant compound in both medical therapy and biochemical research. Its unique mechanism of action and broad range of potential applications make it a valuable asset in addressing various health challenges. As research continues to uncover new insights into its properties and uses, the therapeutic landscape is likely to benefit further from this versatile organosulfur compound.

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