2-Benzothiazolesulfenamide

Base Information

• Chemical Name: 2-Benzothiazolesulfenamide
• CAS No.: 2801-21-0
• Molecular Formula: C7H6 N2 S2
• Molecular Weight: 182.27
• Hs Code.: 2934999090
• NSC Number: 157088
• DSSTox Substance ID: DTXSID80182292
• Nikkaji Number: J80.567J
• Wikidata: Q83052952
• ChEMBL ID: CHEMBL3092382
• Mol file: 2801-21-0.mol

Synonyms:2-benzothiazylsulfenamide

Chemical Property of 2-Benzothiazolesulfenamide

Chemical Property:

• Vapor Pressure: 2.46E-05mmHg at 25°C
• Boiling Point: 359°C at 760 mmHg
• Flash Point: 170.9°C
• PSA: 92.45000
• Density: 1.45g/cm³
• LogP: 2.96240
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 181.99724055
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

99%min ^*data from raw suppliers

2-Benzothiazolesulfenamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Benzothiazolesulfenamide

There total 4 articles about 2-Benzothiazolesulfenamide 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: 87.0%

2-Mercaptobenzothiazole (149-30-4,118090-09-8) → benzothiazole sulfenamide (2801-21-0)

Guidance literature:

With sodium hypochlorite; ammonium hydroxide; sodium hydroxide; at 5 - 10 ℃; pH=12 - 12.2;

DOI:10.1002/jhet.752

Reference yield:

sodium 2-mercaptobenzothiazole (2492-26-4) → benzothiazole sulfenamide (2801-21-0)

Guidance literature:

With ammonium hydroxide; sodium hypochlorite;

DOI:10.1021/jo01158a001 DOI:10.1039/jr9570003072

Reference yield:

2-thioxo-3H-1,3-benzothiazole (149-30-4,81605-65-4) → benzothiazole sulfenamide (2801-21-0)

Guidance literature:

With ammonium hydroxide; sodium hypochlorite;

upstream raw materials:

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

sodium 2-mercaptobenzothiazole

2-Mercaptobenzothiazole

Downstream raw materials:

N-acetyl-2-benzothiazolylsulfenamide

di(benzothiazol-2-yl)disulfide

N-(cyclohexyl)benzothiazole-2-sulfenamide

benzaldehyde S-benzothiazol-2-yl-thiooxime

Refernces

• 1、 Proenca, Carla,Serralheiro, M. Luisa,Araujo, M. Eduarda,Pamplona, Teresa,Santos, Susana,Santos, M. Soledade,Frazao, Fatima. "Novel sulfenamides as promising acetylcholinesterase inhibitors". experimental part. p. 1287 - 1294. Retrieved 2012/01/12.
• 2、 -. "Sulfenamide accelerators and rubber compositions containing the same". . . Retrieved 2008/06/13.