U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H5BrO2S
Molecular Weight 245.093
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Bromobenzo[b]thiophene 1,1-dioxide

SMILES

BrC1=CS(=O)(=O)C2=CC=CC=C12

InChI

InChIKey=BWCBGYFBSVPRLL-UHFFFAOYSA-N
InChI=1S/C8H5BrO2S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-5H

HIDE SMILES / InChI

Approval Year

Name Type Language
3-Bromobenzo[b]thiophene 1,1-dioxide
Systematic Name English
NSC-133589
Preferred Name English
Benzo[b]thiophene, 3-bromo-, 1,1-dioxide
Systematic Name English
Code System Code Type Description
FDA UNII
DWA5WVD945
Created by admin on Tue Apr 01 20:13:35 GMT 2025 , Edited by admin on Tue Apr 01 20:13:35 GMT 2025
PRIMARY
CAS
16957-97-4
Created by admin on Tue Apr 01 20:13:35 GMT 2025 , Edited by admin on Tue Apr 01 20:13:35 GMT 2025
PRIMARY
NSC
133589
Created by admin on Tue Apr 01 20:13:35 GMT 2025 , Edited by admin on Tue Apr 01 20:13:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID70168727
Created by admin on Tue Apr 01 20:13:35 GMT 2025 , Edited by admin on Tue Apr 01 20:13:35 GMT 2025
PRIMARY
PUBCHEM
97582
Created by admin on Tue Apr 01 20:13:35 GMT 2025 , Edited by admin on Tue Apr 01 20:13:35 GMT 2025
PRIMARY