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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6N2O3S2
Molecular Weight 230.264
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-Dihydro-2-thioxo-1H-benzimidazole-5-sulfonic acid

SMILES

OS(=O)(=O)C1=CC=C2NC(=S)NC2=C1

InChI

InChIKey=LLOAINVMNYBDNR-UHFFFAOYSA-N
InChI=1S/C7H6N2O3S2/c10-14(11,12)4-1-2-5-6(3-4)9-7(13)8-5/h1-3H,(H2,8,9,13)(H,10,11,12)

HIDE SMILES / InChI

Molecular Formula C7H6N2O3S2
Molecular Weight 230.264
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 Sat Dec 16 20:17:40 GMT 2023
Edited
by admin
on Sat Dec 16 20:17:40 GMT 2023
Record UNII
5XB4SE4UVG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-Dihydro-2-thioxo-1H-benzimidazole-5-sulfonic acid
Systematic Name English
1H-Benzimidazole-5-sulfonic acid, 2,3-dihydro-2-thioxo-
Systematic Name English
Code System Code Type Description
CAS
58089-27-3
Created by admin on Sat Dec 16 20:17:40 GMT 2023 , Edited by admin on Sat Dec 16 20:17:40 GMT 2023
PRIMARY
PUBCHEM
2738126
Created by admin on Sat Dec 16 20:17:40 GMT 2023 , Edited by admin on Sat Dec 16 20:17:40 GMT 2023
PRIMARY
FDA UNII
5XB4SE4UVG
Created by admin on Sat Dec 16 20:17:40 GMT 2023 , Edited by admin on Sat Dec 16 20:17:40 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT