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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O3S
Molecular Weight 196.223
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CC(=O)SC1=CC=CC=C1C(O)=O

InChI

InChIKey=HIHUAMSKWMGUNW-UHFFFAOYSA-N
InChI=1S/C9H8O3S/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C9H8O3S
Molecular Weight 196.223
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 Fri Dec 15 18:07:30 GMT 2023
Edited
by admin
on Fri Dec 15 18:07:30 GMT 2023
Record UNII
09HZA2Q5EA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(ACETYLTHIO)BENZOIC ACID
Systematic Name English
NSC-49190
Code English
S-ACETYLTHIOSALICYLIC ACID
Systematic Name English
THIOASPIRIN
Common Name English
2-(ACETYLMERCAPTO)BENZOIC ACID
Systematic Name English
BENZOIC ACID, O-MERCAPTO-, ACETATE
Common Name English
2-MERCAPTOBENZOIC ACID S-ACETATE
Common Name English
O-(ACETYLTHIO)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 2-(ACETYLTHIO)-
Common Name English
Code System Code Type Description
FDA UNII
09HZA2Q5EA
Created by admin on Fri Dec 15 18:07:30 GMT 2023 , Edited by admin on Fri Dec 15 18:07:30 GMT 2023
PRIMARY
PUBCHEM
96035
Created by admin on Fri Dec 15 18:07:30 GMT 2023 , Edited by admin on Fri Dec 15 18:07:30 GMT 2023
PRIMARY
NSC
49190
Created by admin on Fri Dec 15 18:07:30 GMT 2023 , Edited by admin on Fri Dec 15 18:07:30 GMT 2023
PRIMARY
CAS
55819-78-8
Created by admin on Fri Dec 15 18:07:30 GMT 2023 , Edited by admin on Fri Dec 15 18:07:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID30204413
Created by admin on Fri Dec 15 18:07:30 GMT 2023 , Edited by admin on Fri Dec 15 18:07:30 GMT 2023
PRIMARY