Cas no 872-35-5 (1H-Imidazole-2-thiol)

1H-Imidazole-2-thiol structure
1H-Imidazole-2-thiol structure
Product Name:1H-Imidazole-2-thiol
CAS No:872-35-5
MF:C3H4N2S
MW:100.142258644104
MDL:MFCD00005188
CID:83158
PubChem ID:24857146
Update Time:2024-10-26

1H-Imidazole-2-thiol Chemical and Physical Properties

Names and Identifiers

    • 1H-Imidazole-2(3H)-thione
    • 2-Imidazolethiol
    • 2-Mercaptoimidazole
    • 1H-Imidazole-2-thiol
    • IMIDAZOLE-2-THIOL
    • 1,3-Vinylenethiourea
    • 1,3-dihydroimidazole-2-thione
    • Imidazole, 2-mercapto-
    • 4-Imidazoline-2-thione
    • 2H-Imidazole-2-thione, 1,3-dihydro-
    • Mercaptoimidazole
    • 2-Thioxo-2,3-dihydroimidazole
    • 2-Mercapto-1H-imidazole
    • FD37BLD6L2
    • 1,3-dihydro-imidazole-2-thione
    • OXFSTTJBVAAALW-UHFFFAOYSA-N
    • 1,3-Dihydro-2H-imidazole
    • 1,3-Dihydro-2H-imidazole-2-thione (ACI)
    • 2-Imidazolemercaptan (3CI)
    • 4-Imidazoline-2-thione (7CI)
    • Imidazole-2-thiol (6CI, 8CI)
    • 1-Imidazole-2(3H)-thione
    • 2-Thioimidazole
    • NSC 112715
    • STL476661
    • J-504670
    • DTXSID6061236
    • 49556-19-6
    • 2,3-dihydro-1h-imidazol-2-thione
    • 2H-Imidazole-2-thione,3-dihydro-
    • AB00386
    • PS-9324
    • AP-836/41220351
    • BDBM50497083
    • 2-IMIDAZOLEMERCAPTAN
    • CHEMBL3260774
    • 872-35-5
    • 2,3-dihydro-1H-imidazole-2-thione
    • NSC-112715
    • Z1198723329
    • 1H-Imidazolethiol
    • InChI=1/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6
    • WLN: T5M CNJ BSH
    • EN300-87124
    • MFCD00005188
    • AKOS015856745
    • NSC112715
    • UNII-FD37BLD6L2
    • F8889-0227
    • CS-W016653
    • NS00039178
    • 82358-15-4
    • Q27463637
    • EINECS 212-823-4
    • 2-mercapto-imidazole
    • 1,3-Dihydro-2H-imidazole-2-thione
    • AKOS006227877
    • SCHEMBL116
    • 2-Mercaptoimidazole, 98%
    • AI3-61065
    • 1H-imidazol-2-thiol
    • USAF EL-57
    • MDL： MFCD00005188
    • Inchi： 1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
    • InChI Key： OXFSTTJBVAAALW-UHFFFAOYSA-N
    • SMILES： S=C1NC=CN1
    • BRN： 105775

Computed Properties

  • Exact Mass: 100.01000
  • Monoisotopic Mass: 100.01
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 87
  • 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
  • XLogP3: -0.3
  • Topological Polar Surface Area: 56.2
  • Surface Charge: 0
  • Tautomer Count: 2

Experimental Properties

  • Color/Form: Colorless solid
  • Density: 1.4±0.1 g/cm3
  • Melting Point: 228-231?°C (lit.)
  • Boiling Point: 152.4℃ at 760 mmHg
  • Flash Point: 108.0±22.6 °C
  • Refractive Index: 1.696
  • Solubility: methanol: soluble50mg/mL, clear to slightly hazy, colorless to yellow
  • PSA: 67.48000
  • LogP: 0.69840
  • Solubility: Insoluble in ethyl acetate \ gasoline \ carbon tetrachloride \ toluene, slightly soluble in acetone, soluble in water \ methanol and ethanol
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

1H-Imidazole-2-thiol Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H315-H319-H335
  • Warning Statement： P261-P305 + P351 + P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26-S36
  • FLUKA BRAND F CODES：10
  • RTECS：NI8515000
  • Hazardous Material Identification： Xi
  • TSCA：Yes
  • Storage Condition：Keep in dark place,Inert atmosphere,2-8°C
  • Risk Phrases：R36/37/38

1H-Imidazole-2-thiol Customs Data

  • HS CODE：2933290090
  • Customs Data：

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1H-Imidazole-2-thiol Pricemore >>

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1H-Imidazole-2-thiol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Zirconium chloride (ZrCl4) Solvents: Tetrahydrofuran
1.2 Reagents: Sodium borohydride
1.3 Reagents: Hydrochloric acid
1.4 Solvents: Ethyl acetate
Reference
A rapid and efficient cleavage of organic disulfides to mercaptans using ZrCl4/NaBH4
Chary, K. Purushothama; et al, Synthetic Communications, 2000, 30(21), 3905-3911

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Water ;  rt; 2 h, rt
1.2 Reagents: Sodium chloroacetate Solvents: Water ;  10 h, rt
Reference
Preparation of imidazolidinethione heterocyclic compound in water at room temperature
Li, Tian-tian; et al, Huaxue Yu Shengwu Gongcheng, 2014, 31(12), 31-34

Production Method 3

Reaction Conditions
Reference
Synthesis and study of the SR ? NR rearrangement of 1,3-diazoles: 1-alkyl-2-alkylthio (allylthio, arylthio, cycloalkylthio) imidazoles. Part I. Synthesis and physicochemical studies
Kister, Jacky; et al, Canadian Journal of Chemistry, 1979, 57(7), 813-21

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium bicarbonate ,  Phenyl chlorothionoformate Solvents: Tetrahydrofuran ,  Water
Reference
A new and convenient synthesis of imidazole-2-thiones from imidazoles
Xu, J.; et al, Synlett, 1995, (3), 239-41

Production Method 5

Reaction Conditions
1.1 Solvents: Ethanol ,  Water ;  3 h, reflux
1.2 Solvents: Water ;  10 min, reflux
Reference
Synthesis and biological evaluation of novel thiazolidinone derivatives as potential anti-inflammatory agents
Hu, Jie; et al, European Journal of Medicinal Chemistry, 2013, 64, 292-301

Production Method 6

Reaction Conditions
1.1 Reagents: Disodium phosphate ,  Ammonium chloride Solvents: Water ;  24 h, pH 4, 60 °C
Reference
Common and Potentially Prebiotic Origin for Precursors of Nucleotide Synthesis and Activation
Fahrenbach, Albert C. ; et al, Journal of the American Chemical Society, 2017, 139(26), 8780-8783

Production Method 7

Reaction Conditions
Reference
Process and catalysts for the manufacture of 3-alkylbuten-1-als from 3-alkylbuten-1-ols
, Federal Republic of Germany, , ,

Production Method 8

Reaction Conditions
Reference
Reaction pathway and kinetic study of 4,5-dihydroxyimidazolidine-2-thione synthesis by HPLC and NMR
Kalichkina, Liudmila; et al, Heterocycles, 2022, 104(11), 1954-1965

Production Method 9

Reaction Conditions
Reference
Reaction pathway and kinetic study of 4,5-dihydroxyimidazolidine-2-thione synthesis by HPLC and NMR
Kalichkina, Liudmila; et al, Heterocycles, 2022, 104(11), 1954-1965

Production Method 10

Reaction Conditions
1.1 Reagents: Water
2.1 -
Reference
Reaction pathway and kinetic study of 4,5-dihydroxyimidazolidine-2-thione synthesis by HPLC and NMR
Kalichkina, Liudmila; et al, Heterocycles, 2022, 104(11), 1954-1965

1H-Imidazole-2-thiol Raw materials

1H-Imidazole-2-thiol Preparation Products

1H-Imidazole-2-thiol Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:872-35-5)1H-Imidazole-2(3H)-thione
Order Number:LE17699
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:16
Price ($):discuss personally
NewCan Biotech Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:872-35-5)2-Mercaptoimidazole
Order Number:NC14131
Stock Status:
Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:01
Price ($):Price inquiry

1H-Imidazole-2-thiol Related Literature

872-35-5 (1H-Imidazole-2-thiol) Related Products

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:872-35-5)1H-Imidazole-2(3H)-thione
LE17699
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email
NewCan Biotech Limited
(CAS:872-35-5)2-Mercaptoimidazole
NC14131
Purity:97%
Quantity:10g
Price ($):Inquiry
Email