2-Benzothiazolesulfenyl chloride

Base Information

• Chemical Name: 2-Benzothiazolesulfenyl chloride
• CAS No.: 33405-92-4
• Molecular Formula: C7H4 Cl N S2
• Molecular Weight: 201.7
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10461921
• Nikkaji Number: J24.622K
• Mol file: 33405-92-4.mol

Synonyms:2-Benzothiazolesulfenyl chloride;33405-92-4;benzthiazolylsulfenyl chloride;SCHEMBL4738387;DTXSID10461921;GQVPYCDCRPAHKB-UHFFFAOYSA-N;1,3-benzothiazole-2-sulfenyl chloride

Chemical Property of 2-Benzothiazolesulfenyl chloride

Chemical Property:

• PSA: 66.43000
• LogP: 3.54220
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 200.9473692
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)SCl

Technology Process of 2-Benzothiazolesulfenyl chloride

There total 8 articles about 2-Benzothiazolesulfenyl chloride 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:

di(benzothiazol-2-yl)disulfide (120-78-5) → 2-benzothiazolylsulfenyl chloride (33405-92-4)

Guidance literature:

With tetrachloromethane; chlorine;

Reference yield:

2-Mercaptobenzothiazole (149-30-4,118090-09-8) → 2-benzothiazolylsulfenyl chloride (33405-92-4)

Guidance literature:

With N-chloro-succinimide; In benzene; for 1h; Ambient temperature;

Reference yield:

sodium 2-mercaptobenzothiazole (2492-26-4) → 2-benzothiazolylsulfenyl chloride (33405-92-4)

Guidance literature:

Multi-step reaction with 2 steps

1: I₂ / ethanol

2: Cl₂ / CH₂Cl₂ / 20 °C

With iodine; chlorine; In ethanol; dichloromethane; 1: Dimerization / 2: Chlorination;

DOI:10.1021/jo000901q

upstream raw materials:

2-thioxo-3H-1,3-benzothiazole

di(benzothiazol-2-yl)disulfide

benzothiazole sulfenamide

N-(cyclohexyl)benzothiazole-2-sulfenamide

Downstream raw materials:

(E)-1-(1,3-benzothiazol-2-ylsulfanyl)-2-chloro-1,2-diphenylethene

2-(phenylthio)benzothiazole

2-(2-Chloro-2-phenyl-ethanesulfonyl)-benzothiazole

(E)-2-<(2-phenylethenyl)sulfonyl>benzothiazole

Refernces

• 1、 Kuznetsov,Startseva,Nikitina,Osmanov,Borisov,Matsulevich, Zh. V.,Klochkov. "Reaction of (+)-carvone with several hetarylsulfenyl chlorides and pyridylselenyl chloride". . p. 276 - 280. Retrieved 2014.
• 2、 Yonova, Ivelina M.,Osborne, Charlotte A.,Morrissette, Naomi S.,Jarvo, Elizabeth R.. "Diaryl and heteroaryl sulfides: Synthesis via sulfenyl chlorides and evaluation as selective anti-breast-cancer agents". . p. 1947 - 1953. Retrieved 2014/04/03.