Benzothiazole,2-(ethenylsulfonyl)-

Base Information

• Chemical Name: Benzothiazole,2-(ethenylsulfonyl)-
• CAS No.: 2591-09-5
• Molecular Formula: C9H7 N O2 S2
• Molecular Weight: 225.28738
• Hs Code.: 2934999090
• European Community (EC) Number: 833-068-2
• ChEMBL ID: CHEMBL4851432
• DSSTox Substance ID: DTXSID20460521
• Nikkaji Number: J1.966.630A
• Wikidata: Q82284586
• Mol file: 2591-09-5.mol

Synonyms:2591-09-5;Benzothiazole,2-(ethenylsulfonyl)-;2-(Vinylsulfonyl)benzo[d]thiazole;2-ethenylsulfonyl-1,3-benzothiazole;Benzothiazole, 2-(ethenylsulfonyl)- (9CI);2-(ETHENESULFONYL)-1,3-BENZOTHIAZOLE;CHEMBL4851432;DTXSID20460521;CS-0259590;EN300-736734;Z424784962

Chemical Property of Benzothiazole,2-(ethenylsulfonyl)-

Chemical Property:

• PSA: 83.65000
• LogP: 3.29430
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 224.99182081
• Heavy Atom Count: 14
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

Benzothiazole,2-(ethenylsulfonyl)- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CS(=O)(=O)C1=NC2=CC=CC=C2S1

Technology Process of Benzothiazole,2-(ethenylsulfonyl)-

There total 8 articles about Benzothiazole,2-(ethenylsulfonyl)- 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: 67.5%

2-(2-chloroethylsulfenyl)benzo[d][1,3]thiazole (60372-29-4) → 2-vinylsulfonylbenzo[d][1,3]thiazole (2591-09-5)

Guidance literature:

With Oxone; In methanol; water; for 20h;

DOI:10.1081/CAR-120025328

Reference yield:

C9H8BrNO2S2 → 2-vinylsulfonylbenzo[d][1,3]thiazole (2591-09-5)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 18h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b02867

Reference yield:

2-(2-chloro-ethanesulfonyl)-benzothiazole (2602-78-0) → 2-vinylsulfonylbenzo[d][1,3]thiazole (2591-09-5)

Guidance literature:

With aluminum oxide; In benzene;

upstream raw materials:

2-(2-chloro-ethanesulfonyl)-benzothiazole

2-vinylthiobenzothiazole

2-(2-chloroethylsulfenyl)benzo[d][1,3]thiazole

2-Mercaptobenzothiazole

Downstream raw materials:

benzthiazol-2-yl ethyl sulphone

2-(2-benzenesulfonyl-ethanesulfonyl)-benzothiazole