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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O2S
Molecular Weight 182.24
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCSC1=CC(=CC=C1)C(O)=O

InChI

InChIKey=MZRQSAWOIUBTQY-UHFFFAOYSA-N
InChI=1S/C9H10O2S/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C9H10O2S
Molecular Weight 182.239
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 12:57:37 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:37 GMT 2023
Record UNII
X097NKH6Y5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(ETHYLTHIO)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 3-(ETHYLTHIO)-
Systematic Name English
BENZOIC ACID, M-(ETHYLTHIO)-
Systematic Name English
BENZOIC ACID, M-(ETHYLMERCAPTO)-
Systematic Name English
NSC-113991
Code English
Code System Code Type Description
NSC
113991
Created by admin on Sat Dec 16 12:57:37 GMT 2023 , Edited by admin on Sat Dec 16 12:57:37 GMT 2023
PRIMARY
FDA UNII
X097NKH6Y5
Created by admin on Sat Dec 16 12:57:37 GMT 2023 , Edited by admin on Sat Dec 16 12:57:37 GMT 2023
PRIMARY
CAS
5537-74-6
Created by admin on Sat Dec 16 12:57:37 GMT 2023 , Edited by admin on Sat Dec 16 12:57:37 GMT 2023
PRIMARY
PUBCHEM
270872
Created by admin on Sat Dec 16 12:57:37 GMT 2023 , Edited by admin on Sat Dec 16 12:57:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID00203918
Created by admin on Sat Dec 16 12:57:37 GMT 2023 , Edited by admin on Sat Dec 16 12:57:37 GMT 2023
PRIMARY