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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10O2S
Molecular Weight 230.282
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Phenylthio)benzoic acid

SMILES

OC(=O)C1=CC=C(SC2=CC=CC=C2)C=C1

InChI

InChIKey=WRZVDYSYXLKRNN-UHFFFAOYSA-N
InChI=1S/C13H10O2S/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H10O2S
Molecular Weight 230.282
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 19:36:51 GMT 2025
Edited
by admin
on Tue Apr 01 19:36:51 GMT 2025
Record UNII
SZ9U5B968X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-43054
Preferred Name English
4-(Phenylthio)benzoic acid
Systematic Name English
Benzoic acid, p-(phenylthio)-
Systematic Name English
Benzoic acid, 4-(phenylthio)-
Systematic Name English
Code System Code Type Description
NSC
43054
Created by admin on Tue Apr 01 19:36:51 GMT 2025 , Edited by admin on Tue Apr 01 19:36:51 GMT 2025
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PUBCHEM
238598
Created by admin on Tue Apr 01 19:36:51 GMT 2025 , Edited by admin on Tue Apr 01 19:36:51 GMT 2025
PRIMARY
CAS
6310-24-3
Created by admin on Tue Apr 01 19:36:51 GMT 2025 , Edited by admin on Tue Apr 01 19:36:51 GMT 2025
PRIMARY
FDA UNII
SZ9U5B968X
Created by admin on Tue Apr 01 19:36:51 GMT 2025 , Edited by admin on Tue Apr 01 19:36:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID60212440
Created by admin on Tue Apr 01 19:36:51 GMT 2025 , Edited by admin on Tue Apr 01 19:36:51 GMT 2025
PRIMARY