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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H6O3S
Molecular Weight 206.218
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-OXO-1H-ISOTHIOCHROMENE-3-CARBOXYLIC ACID

SMILES

OC(=O)C1=CC2=C(C=CC=C2)C(=O)S1

InChI

InChIKey=MFYRORXZDLTDBJ-UHFFFAOYSA-N
InChI=1S/C10H6O3S/c11-9(12)8-5-6-3-1-2-4-7(6)10(13)14-8/h1-5H,(H,11,12)

HIDE SMILES / InChI

Approval Year

Name Type Language
1-OXO-1H-ISOTHIOCHROMENE-3-CARBOXYLIC ACID
Systematic Name English
NSC-403261
Preferred Name English
1-OXO-1H-2-BENZOTHIOPYRAN-3-CARBOXYLIC ACID
Systematic Name English
2-THIAISOCOUMARIN-3-CARBOXYLIC ACID
Systematic Name English
1H-2-BENZOTHIOPYRAN-3-CARBOXYLIC ACID, 1-OXO-
Systematic Name English
Code System Code Type Description
NSC
403261
Created by admin on Tue Apr 01 19:57:06 GMT 2025 , Edited by admin on Tue Apr 01 19:57:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID40195888
Created by admin on Tue Apr 01 19:57:06 GMT 2025 , Edited by admin on Tue Apr 01 19:57:06 GMT 2025
PRIMARY
FDA UNII
SZ2QF39N41
Created by admin on Tue Apr 01 19:57:06 GMT 2025 , Edited by admin on Tue Apr 01 19:57:06 GMT 2025
PRIMARY
CAS
4361-85-7
Created by admin on Tue Apr 01 19:57:06 GMT 2025 , Edited by admin on Tue Apr 01 19:57:06 GMT 2025
PRIMARY
PUBCHEM
345560
Created by admin on Tue Apr 01 19:57:06 GMT 2025 , Edited by admin on Tue Apr 01 19:57:06 GMT 2025
PRIMARY