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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H9ClO2S
Molecular Weight 264.727
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-CHLOROPHENYLTHIO)BENZOIC ACID

SMILES

OC(=O)C1=CC=CC=C1SC2=CC=CC(Cl)=C2

InChI

InChIKey=JEJVFFQDODZHIV-UHFFFAOYSA-N
InChI=1S/C13H9ClO2S/c14-9-4-3-5-10(8-9)17-12-7-2-1-6-11(12)13(15)16/h1-8H,(H,15,16)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-((3-CHLOROPHENYL)THIO)BENZOIC ACID
Preferred Name English
2-(3-CHLOROPHENYLTHIO)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 2-((3-CHLOROPHENYL)THIO)-
Systematic Name English
O-(M-CHLOROPHENYLTHIO)BENZOIC ACID
Systematic Name English
Code System Code Type Description
CAS
13420-58-1
Created by admin on Tue Apr 01 19:20:12 GMT 2025 , Edited by admin on Tue Apr 01 19:20:12 GMT 2025
PRIMARY
PUBCHEM
83429
Created by admin on Tue Apr 01 19:20:12 GMT 2025 , Edited by admin on Tue Apr 01 19:20:12 GMT 2025
PRIMARY
FDA UNII
K5S7925TXU
Created by admin on Tue Apr 01 19:20:12 GMT 2025 , Edited by admin on Tue Apr 01 19:20:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID80158593
Created by admin on Tue Apr 01 19:20:12 GMT 2025 , Edited by admin on Tue Apr 01 19:20:12 GMT 2025
PRIMARY
ECHA (EC/EINECS)
236-529-0
Created by admin on Tue Apr 01 19:20:12 GMT 2025 , Edited by admin on Tue Apr 01 19:20:12 GMT 2025
PRIMARY