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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H4O2S
Molecular Weight 164.181
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzo[c]thiophene-1,3-dione

SMILES

O=C1SC(=O)C2=C1C=CC=C2

InChI

InChIKey=LYWRIGIFLAVWAF-UHFFFAOYSA-N
InChI=1S/C8H4O2S/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H

HIDE SMILES / InChI

Molecular Formula C8H4O2S
Molecular Weight 164.181
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 Wed Apr 02 11:10:02 GMT 2025
Edited
by admin
on Wed Apr 02 11:10:02 GMT 2025
Record UNII
QSU29CRT4N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-89543
Preferred Name English
Benzo[c]thiophene-1,3-dione
Systematic Name English
2-Benzothiophene-1,3-dione
Systematic Name English
Phthaloyl monosulfide
Systematic Name English
Thiophthalic anhydride
Systematic Name English
1,2-Benzenedicarbothioic acid, cyclic anhydrosulfide
Systematic Name English
Phthalic thioanhydride
Systematic Name English
Phthalic acid, 1,2-dithio-, cyclic anhydrosulfide
Systematic Name English
Code System Code Type Description
CAS
5698-59-9
Created by admin on Wed Apr 02 11:10:02 GMT 2025 , Edited by admin on Wed Apr 02 11:10:02 GMT 2025
PRIMARY
PUBCHEM
138569
Created by admin on Wed Apr 02 11:10:02 GMT 2025 , Edited by admin on Wed Apr 02 11:10:02 GMT 2025
PRIMARY
FDA UNII
QSU29CRT4N
Created by admin on Wed Apr 02 11:10:02 GMT 2025 , Edited by admin on Wed Apr 02 11:10:02 GMT 2025
PRIMARY
NSC
89543
Created by admin on Wed Apr 02 11:10:02 GMT 2025 , Edited by admin on Wed Apr 02 11:10:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID50205583
Created by admin on Wed Apr 02 11:10:02 GMT 2025 , Edited by admin on Wed Apr 02 11:10:02 GMT 2025
PRIMARY