6-Benzothiazolecarbonitrile,2,3-dihydro-2-thioxo-(9CI)

Base Information

• Chemical Name: 6-Benzothiazolecarbonitrile,2,3-dihydro-2-thioxo-(9CI)
• CAS No.: 315228-79-6
• Molecular Formula: C8H4N2S2
• Molecular Weight: 192.265
• Hs Code.: 2934200090
• Mol file: 315228-79-6.mol

Synonyms:2-Mercapto-1,3-benzothiazole-6-carbonitrile;2-Mercaptobenzothiazole-6-carbonitrile;

Chemical Property of 6-Benzothiazolecarbonitrile,2,3-dihydro-2-thioxo-(9CI)

Chemical Property:

• Boiling Point: 369.38 °C at 760 mmHg
• Flash Point: 177.195 °C
• PSA: 103.72000
• Density: 1.54 g/cm³
• LogP: 2.45668
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

2-Mercaptobenzo[d]thiazole-6-carbonitrile 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-Benzothiazolecarbonitrile,2,3-dihydro-2-thioxo-(9CI)

There total 8 articles about 6-Benzothiazolecarbonitrile,2,3-dihydro-2-thioxo-(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: 98.0%

potassium ethyl xanthogenate (140-89-6) + 4-amino-3-iodobenzonitrile (33348-34-4) → 2-mercapto-1,3-benzothiazole-6-carbonitrile (315228-79-6)

Guidance literature:

With iron(III) trifluoride; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In N,N-dimethyl-formamide; at 110 ℃; for 10h; Inert atmosphere; Sealed tube;

DOI:10.1080/00397911.2015.1085573

Reference yield: 97.0%

→ 2-mercapto-1,3-benzothiazole-6-carbonitrile (315228-79-6)

Guidance literature:

Reference yield: 84.0%

4-amino-3-chlorobenzonitrile (21803-75-8) + potassium ethyl xanthogenate (140-89-6) → 2-mercapto-1,3-benzothiazole-6-carbonitrile (315228-79-6)

Guidance literature:

In N,N-dimethyl-formamide; for 4h; Reflux;

upstream raw materials:

4-amino-3-chlorobenzonitrile

carbon disulfide

2-bromo-4-cyanoaniline

potassium ethyl xanthogenate

Downstream raw materials:

2-(2,6-dichloro-4-nitro-phenylsulfanyl)-benzothiazole-6-carbonitrile

2-(2-chloro-4-nitro-phenylsulfanyl)-benzothiazole-6-carbonitrile

2-chloro-1,3-benzothiazole-6-carbonitrile