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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H9NO2S
Molecular Weight 183.228
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Aminophenylthio)acetic acid

SMILES

NC1=CC=C(SCC(O)=O)C=C1

InChI

InChIKey=CTPIHHXCACYCIV-UHFFFAOYSA-N
InChI=1S/C8H9NO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5,9H2,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C8H9NO2S
Molecular Weight 183.228
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 12:27:35 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:35 GMT 2023
Record UNII
6ZV6XHL9WA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Aminophenylthio)acetic acid
Systematic Name English
NSC-43555
Code English
(4-Aminophenylsulfanyl)ethanoic acid
Systematic Name English
Acetic acid, [(p-aminophenyl)thio]-
Systematic Name English
2-[(4-Aminophenyl)thio]acetic acid
Systematic Name English
Acetic acid, [(4-aminophenyl)thio]-
Systematic Name English
Acetic acid, 2-[(4-aminophenyl)thio]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50146205
Created by admin on Sat Dec 16 12:27:35 GMT 2023 , Edited by admin on Sat Dec 16 12:27:35 GMT 2023
PRIMARY
NSC
43555
Created by admin on Sat Dec 16 12:27:35 GMT 2023 , Edited by admin on Sat Dec 16 12:27:35 GMT 2023
PRIMARY
CAS
104-18-7
Created by admin on Sat Dec 16 12:27:35 GMT 2023 , Edited by admin on Sat Dec 16 12:27:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-182-1
Created by admin on Sat Dec 16 12:27:35 GMT 2023 , Edited by admin on Sat Dec 16 12:27:35 GMT 2023
PRIMARY
FDA UNII
6ZV6XHL9WA
Created by admin on Sat Dec 16 12:27:35 GMT 2023 , Edited by admin on Sat Dec 16 12:27:35 GMT 2023
PRIMARY
PUBCHEM
66907
Created by admin on Sat Dec 16 12:27:35 GMT 2023 , Edited by admin on Sat Dec 16 12:27:35 GMT 2023
PRIMARY