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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H9ClN2O2S3
Molecular Weight 356.871
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-Chloro-2-mercapto-5-benzothiazolesulfonanilide

SMILES

ClC1=CC=C(NS(=O)(=O)C2=CC3=C(SC(=S)N3)C=C2)C=C1

InChI

InChIKey=ATOUOYOWYYYGBS-UHFFFAOYSA-N
InChI=1S/C13H9ClN2O2S3/c14-8-1-3-9(4-2-8)16-21(17,18)10-5-6-12-11(7-10)15-13(19)20-12/h1-7,16H,(H,15,19)

HIDE SMILES / InChI

Molecular Formula C13H9ClN2O2S3
Molecular Weight 356.871
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:46:31 GMT 2025
Edited
by admin
on Tue Apr 01 17:46:31 GMT 2025
Record UNII
F975J3R37N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Benzothiazolesulfonamide, N-(4-chlorophenyl)-2,3-dihydro-2-thioxo-
Preferred Name English
4'-Chloro-2-mercapto-5-benzothiazolesulfonanilide
Systematic Name English
N-(4-Chlorophenyl)-2,3-dihydro-2-thioxo-5-benzothiazolesulfonamide
Systematic Name English
Code System Code Type Description
FDA UNII
F975J3R37N
Created by admin on Tue Apr 01 17:46:31 GMT 2025 , Edited by admin on Tue Apr 01 17:46:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID90223640
Created by admin on Tue Apr 01 17:46:31 GMT 2025 , Edited by admin on Tue Apr 01 17:46:31 GMT 2025
PRIMARY
PUBCHEM
3034197
Created by admin on Tue Apr 01 17:46:31 GMT 2025 , Edited by admin on Tue Apr 01 17:46:31 GMT 2025
PRIMARY
CAS
7341-89-1
Created by admin on Tue Apr 01 17:46:31 GMT 2025 , Edited by admin on Tue Apr 01 17:46:31 GMT 2025
PRIMARY
ECHA (EC/EINECS)
230-856-2
Created by admin on Tue Apr 01 17:46:31 GMT 2025 , Edited by admin on Tue Apr 01 17:46:31 GMT 2025
PRIMARY