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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 2-(Phenylthio)benzoic acid

SMILES

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

InChI

InChIKey=PMLBXJKQYSENQH-UHFFFAOYSA-N
InChI=1S/C13H10O2S/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/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 Sat Dec 16 11:55:11 GMT 2023
Edited
by admin
on Sat Dec 16 11:55:11 GMT 2023
Record UNII
SP7B4APK5R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(Phenylthio)benzoic acid
Systematic Name English
NSC-40917
Code English
Benzoic acid, 2-(phenylthio)-
Systematic Name English
2-Carboxydiphenyl sulfide
Systematic Name English
Benzoic acid, o-(phenylthio)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID9061754
Created by admin on Sat Dec 16 11:55:11 GMT 2023 , Edited by admin on Sat Dec 16 11:55:11 GMT 2023
PRIMARY
PUBCHEM
15210
Created by admin on Sat Dec 16 11:55:11 GMT 2023 , Edited by admin on Sat Dec 16 11:55:11 GMT 2023
PRIMARY
NSC
40917
Created by admin on Sat Dec 16 11:55:11 GMT 2023 , Edited by admin on Sat Dec 16 11:55:11 GMT 2023
PRIMARY
FDA UNII
SP7B4APK5R
Created by admin on Sat Dec 16 11:55:11 GMT 2023 , Edited by admin on Sat Dec 16 11:55:11 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-200-8
Created by admin on Sat Dec 16 11:55:11 GMT 2023 , Edited by admin on Sat Dec 16 11:55:11 GMT 2023
PRIMARY
CAS
1527-12-4
Created by admin on Sat Dec 16 11:55:11 GMT 2023 , Edited by admin on Sat Dec 16 11:55:11 GMT 2023
PRIMARY