2-Benzothiazolethiol(9CI)

Base Information

• Chemical Name: 2-Benzothiazolethiol(9CI)
• CAS No.: 118090-09-8
• Molecular Formula: C7H5NS2
• Molecular Weight: 167.25100
• Mol file: 118090-09-8.mol

Synonyms:

Chemical Property of 2-Benzothiazolethiol(9CI)

Chemical Property:

• Boiling Point: 281.3±23.0 °C(Predicted)
• PKA: 6.51±0.10(Predicted)
• PSA: 79.93000
• Density: 1.407±0.06 g/cm3(Predicted)
• LogP: 2.58500

Purity/Quality:

99% ^*data from raw suppliers

Benzo[d]thiazole-2-thiol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• General Description: **Other names for 2-Benzothiazolethiol (9CI) include:** 2-Mercaptobenzothiazole (2-MBT). **Description:** 2-Benzothiazolethiol (2-MBT) is a sulfur-containing heterocyclic compound widely used as an intermediate in pharmaceuticals, rubber vulcanization, and fine chemicals. It can be purified to high purity (≥99.9%) via solvent crystallization and impurity removal, demonstrating its industrial relevance. Derivatives of 2-MBT exhibit biological activity, such as α-glucosidase inhibition and quorum sensing inhibition in Gram-negative bacteria, highlighting its potential in drug development. Additionally, its role in vulcanization processes underscores its importance in polymer chemistry. 2-Benzothiazolethiol(9CI)'s versatility is further evidenced by its use in synthesizing thiophene and hydrazone derivatives.

Technology Process of 2-Benzothiazolethiol(9CI)

There total 135 articles about 2-Benzothiazolethiol(9CI) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

carbon disulfide (75-15-0,12122-00-8) + 2-Aminophenyl disulfide (1141-88-4) → sulfur (10544-50-0) + 2-Mercaptobenzothiazole (149-30-4,118090-09-8)

Guidance literature:

With sodium hydrogensulfide; In water; at 80 ℃; for 10h; Reagent/catalyst; Solvent; Temperature; Catalytic behavior; Autoclave; Green chemistry;

DOI:10.1039/c6gc03053j

Reference yield: 93.0%

methyl phosphite (96-36-6,868-85-9) + N-piperidin-2-benzothiazole sulfenamide (26773-65-9) → 2-methylmercaptobenzothiazole (615-22-5) + Dimethyl piperididophosphate (597-24-0) + 2-Mercaptobenzothiazole (149-30-4,118090-09-8)

Guidance literature:

DOI:10.1246/cl.1980.695

Reference yield: 91.0%

4-(benzothiazole-2-sulfenyl)-morpholine (102-77-2) + phosphorous acid trimethyl ester (121-45-9) → 2-methylmercaptobenzothiazole (615-22-5) + N,N-oxydiethylene-O,O-dimethylphosphoramidate (597-25-1) + 2-Mercaptobenzothiazole (149-30-4,118090-09-8)

Guidance literature:

DOI:10.1246/cl.1980.695

upstream raw materials:

1H-imidazole

methyl benzothiazol-2-yl trithiocarbonate

carbon disulfide

o-azidoaniline

Downstream raw materials:

2-(thiomethyl-2'-benzothiazolyl)benzimidazole

2-allylmercapto-1,3-benzothiazole

2-(S-formylmercapto)benzothiazole

2-propylsulfanyl-benzothiazole