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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H13NO3S
Molecular Weight 227.28
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Amino-5-(ethylthio)-o-anisic acid

SMILES

CCSC1=C(N)C=C(OC)C(=C1)C(O)=O

InChI

InChIKey=BVCKAIGDWABZIE-UHFFFAOYSA-N
InChI=1S/C10H13NO3S/c1-3-15-9-4-6(10(12)13)8(14-2)5-7(9)11/h4-5H,3,11H2,1-2H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C10H13NO3S
Molecular Weight 227.28
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 Wed Apr 02 09:03:25 GMT 2025
Edited
by admin
on Wed Apr 02 09:03:25 GMT 2025
Record UNII
M9HN9Y8YJV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Amino-5-(ethylthio)-o-anisic acid
Systematic Name English
4-Amino-5-(ethylthio)-2-methoxybenzoic acid
Preferred Name English
Benzoic acid, 4-amino-5-(ethylthio)-2-methoxy-
Systematic Name English
Code System Code Type Description
CAS
71675-86-0
Created by admin on Wed Apr 02 09:03:25 GMT 2025 , Edited by admin on Wed Apr 02 09:03:25 GMT 2025
PRIMARY
FDA UNII
M9HN9Y8YJV
Created by admin on Wed Apr 02 09:03:25 GMT 2025 , Edited by admin on Wed Apr 02 09:03:25 GMT 2025
PRIMARY
PUBCHEM
3018231
Created by admin on Wed Apr 02 09:03:25 GMT 2025 , Edited by admin on Wed Apr 02 09:03:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID20992276
Created by admin on Wed Apr 02 09:03:25 GMT 2025 , Edited by admin on Wed Apr 02 09:03:25 GMT 2025
PRIMARY