Cas no 149-30-4 (1,3-benzothiazole-2-thiol)

1,3-Benzothiazole-2-thiol is a sulfur-containing heterocyclic compound with the molecular formula C?H?NS?. It serves as a versatile intermediate in organic synthesis, particularly in the production of rubber accelerators, corrosion inhibitors, and pharmaceutical agents. The compound's thiol and benzothiazole moieties contribute to its reactivity, enabling applications in vulcanization processes and as a ligand in coordination chemistry. Its stability under standard conditions and compatibility with industrial processes make it a reliable choice for specialized chemical formulations. Additionally, 1,3-benzothiazole-2-thiol exhibits potential utility in agrochemicals and dyes due to its structural adaptability and functional group interactions.
1,3-benzothiazole-2-thiol structure
1,3-benzothiazole-2-thiol structure
Product Name:1,3-benzothiazole-2-thiol
CAS No:149-30-4
MF:C14H10N2S4
MW:334.502597332001
MDL:MFCD00005781
CID:36578
PubChem ID:697993
Update Time:2025-08-26

1,3-benzothiazole-2-thiol Chemical and Physical Properties

Names and Identifiers

    • Benzo[d]thiazole-2(3H)-thione
    • MBT
    • 2-MBT
    • 2-Benzothiazolethiol (MBT)
    • Sulfur Accelerator M
    • Benzothiazole-2-thiol
    • 2-Mercaptobenzothiazole
    • 2-Benzothiazolethiol
    • 2-Mercaptobenzothiazole Solution
    • MBT(M)
    • Mercaptobenzothiazole
    • Perkacit? MBT
    • rubber accelerator MBT
    • 2-Benzothiazolethiol,MBT
    • 2-mercapto-benzothiazole
    • 2-mercapto-benzthiazole
    • Accel M
    • Accelerator M
    • Accelerator MBT
    • Accelerator MBT, MBT
    • AG 63
    • benzothiazolyl mercaptan
    • CAPTAX
    • Kaptax
    • Mertax
    • Perkacit MBT
    • Rokon
    • ROTAX
    • accelm
    • Benzothiazolethiol
    • Benzo[d]thiazole-2-thiol
    • 1,3-Benzothiazole-2-thiol
    • 2(3H)-Benzothiazolethione
    • Dermacid
    • Sulfadene
    • Thiotax
    • Vulkacit M
    • Ekagom G
    • Mebithizol
    • Mebetizole
    • Kaptaks
    • Nuodeb 84
    • Soxinol M
    • Vulkacit Mercapto
    • Pneumax MBT
    • 2-Mercaptobenzthiazole
    • Royal MBT
    • Mercaptobenzthiazole
    • Mercaptobenzothiazol
    • Vulkacit Merc
    • zinc di(benzothiazol-2-yl) disulphide
    • 1,3-benzothiazole-2-thiol
    • MDL: MFCD00005781
    • Inchi: 1S/2C7H5NS2/c2*9-7-8-5-3-1-2-4-6(5)10-7/h2*1-4H,(H,8,9)
    • InChI Key: JYRPXJDQMBHLOJ-UHFFFAOYSA-N
    • SMILES: SC1SC2C(=CC=CC=2)N=1.S=C1SC2C(=CC=CC=2)N1
    • BRN: 119484

Computed Properties

  • Exact Mass: 166.98600
  • Monoisotopic Mass: 166.986341
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 158
  • 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: 2
  • XLogP3: 2.4
  • Topological Polar Surface Area: 69.4

Experimental Properties

  • Color/Form: Pale yellow monoclinic needle like or leaf like crystals. It has a bitter taste and an unpleasant smell.
  • Density: 1.42
  • Melting Point: 177-181?°C (lit.)
  • Boiling Point: >260°C at 760 mmHg
  • Flash Point: Degrees Fahrenheit:392°F
    Degrees Celsius:200°C
  • Refractive Index: 1.6100 (estimate)
  • PH: 7 (0.12g/l, H2O, 25℃)
  • Solubility: 0.12g/l
  • Water Partition Coefficient: <0.1 g/100 mL at 19 oC
  • Stability/Shelf Life: Stable. Incompatible with strong oxidizing agents. Flammable.
  • PSA: 79.93000
  • LogP: 2.58500
  • λmax: 325(MeOH)(lit.)
  • Merck: 5868
  • Sensitiveness: Air Sensitive
  • Solubility: Slightly soluble in hot water, soluble in alcohol, chloroform, acetone, carbon tetrachloride, etc. It is easily soluble in ethyl acetate, acetone, ethanol, propanol, chloroform, ether, carbon disulfide, ammonia, sodium hydroxide, sodium carbonate and other alkali solutions, slightly soluble in benzene, insoluble in water and gasoline.
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

1,3-benzothiazole-2-thiol Security Information

  • Symbol: GHS07 GHS09
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H317,H410
  • Warning Statement: P273,P280,P501
  • Hazardous Material transportation number:UN 3077 9/PG 3
  • WGK Germany:2
  • Hazard Category Code: 43-50/53
  • Safety Instruction: S24-S37-S60-S61
  • FLUKA BRAND F CODES:9-13-23
  • RTECS:DL6475000
  • Hazardous Material Identification: Xi N
  • Packing Group:I; II; III
  • Hazard Level:6.1
  • Safety Term:6.1
  • Packing Group:I; II; III
  • Risk Phrases:R43; R50/53
  • Explosive Limit:15%(V)
  • HazardClass:9
  • PackingGroup:III
  • TSCA:Yes
  • Storage Condition:Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.

1,3-benzothiazole-2-thiol Customs Data

  • HS CODE:29342020
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. 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:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1,3-benzothiazole-2-thiol Pricemore >>

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1,3-benzothiazole-2-thiol Production Method

1,3-benzothiazole-2-thiol Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:149-30-4)2-Mercaptobenzothiazole
Order Number:LE4530;LE19024;LE5612556
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:45
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:149-30-4)2-Mercaptobenzothiazole
Order Number:sfd6333
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally

1,3-benzothiazole-2-thiol Spectrogram

13C NMR
13C NMR
1H NMR 300 MHz DMSO
1H NMR

Additional information on 1,3-benzothiazole-2-thiol

Comprehensive Overview of 1,3-Benzothiazole-2-thiol (CAS No. 149-30-4): Properties, Applications, and Industry Trends

1,3-Benzothiazole-2-thiol (CAS No. 149-30-4), also known as 2-mercaptobenzothiazole (MBT), is a sulfur-containing heterocyclic compound widely utilized in industrial and research applications. Its unique molecular structure, featuring a benzothiazole ring with a thiol functional group, grants it versatile chemical properties. This compound is a pale yellow to white crystalline powder with a distinctive odor, soluble in alkaline solutions and organic solvents but sparingly soluble in water. Its stability under normal conditions makes it a preferred choice for various formulations.

In recent years, the demand for 1,3-benzothiazole-2-thiol derivatives has surged due to their role in rubber vulcanization accelerators, a topic frequently searched by engineers and material scientists. The compound’s ability to enhance the cross-linking efficiency of rubber polymers aligns with the growing interest in sustainable rubber production and high-performance elastomers. Additionally, its applications extend to corrosion inhibitors in cooling systems, a niche yet critical area explored by industrial chemists.

Beyond industrial uses, MBT has garnered attention in pharmaceutical research, particularly for its potential as a bioactive scaffold. Studies highlight its antimicrobial and antifungal properties, resonating with searches on “antibacterial agents” and “heterocyclic drug discovery.” However, its adoption in medicine remains under investigation, emphasizing the need for further toxicological evaluations—a point often queried in academic forums.

Environmental and safety considerations are also trending topics. While 149-30-4 is not classified as hazardous under standard regulations, its biodegradability and ecological impact are subjects of ongoing research. This aligns with frequent searches on “green chemistry alternatives” and “eco-friendly chemical additives.” Manufacturers are increasingly exploring modified benzothiazole derivatives to reduce environmental footprints, addressing both regulatory and consumer demands.

From a market perspective, the global supply chain for 1,3-benzothiazole-2-thiol is influenced by raw material availability and regional production capacities. Suppliers often highlight high-purity MBT for specialized applications, a keyword frequently used in procurement queries. Analytical techniques like HPLC and GC-MS are commonly employed for quality control, ensuring compliance with industry standards such as ISO and REACH.

Innovations in catalytic synthesis methods for benzothiazole thiols are another hot topic, with researchers optimizing yields and reducing byproducts. Patents and publications often cite microwave-assisted synthesis or solvent-free reactions, reflecting the shift toward energy-efficient processes. These advancements cater to queries like “efficient synthesis of MBT” and “scalable heterocyclic chemistry.”

In conclusion, 1,3-benzothiazole-2-thiol (CAS No. 149-30-4) remains a cornerstone in multiple industries, driven by its functional versatility and evolving applications. As research continues to uncover new potentials—from advanced materials to biomedical uses—this compound exemplifies the intersection of tradition and innovation in chemical sciences.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:149-30-4)2-Mercaptobenzothiazole
LE4530;LE19024;LE5612556
Purity:99%/99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry/Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:149-30-4)2-Mercaptobenzothiazole
sfd6333
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email