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Details

Stereochemistry ACHIRAL
Molecular Formula C10H11NO2S2
Molecular Weight 241.33
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(((PHENYLAMINO)THIOXOMETHYL)THIO)-PROPANOIC ACID

SMILES

OC(=O)CCSC(=S)NC1=CC=CC=C1

InChI

InChIKey=SQMXIYKGSSMYER-UHFFFAOYSA-N
InChI=1S/C10H11NO2S2/c12-9(13)6-7-15-10(14)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)

HIDE SMILES / InChI

Molecular Formula C10H11NO2S2
Molecular Weight 241.33
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 12:50:17 GMT 2023
Edited
by admin
on Sat Dec 16 12:50:17 GMT 2023
Record UNII
3QF4UQ8ACQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(((PHENYLAMINO)THIOXOMETHYL)THIO)-PROPANOIC ACID
Systematic Name English
PROPIONIC ACID, 3-MERCAPTO-, DITHIOCARBANILATE
Common Name English
NSC-629283
Code English
CARBANILIC ACID, DITHIO-, ESTER WITH 3-MERCAPTOPROPIONIC ACID
Systematic Name English
NSC-40452
Code English
CARBANILIC ACID, DITHIO-, 2-CARBOXYETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
3QF4UQ8ACQ
Created by admin on Sat Dec 16 12:50:17 GMT 2023 , Edited by admin on Sat Dec 16 12:50:17 GMT 2023
PRIMARY
PUBCHEM
3004112
Created by admin on Sat Dec 16 12:50:17 GMT 2023 , Edited by admin on Sat Dec 16 12:50:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID30193939
Created by admin on Sat Dec 16 12:50:17 GMT 2023 , Edited by admin on Sat Dec 16 12:50:17 GMT 2023
PRIMARY
CAS
4094-44-4
Created by admin on Sat Dec 16 12:50:17 GMT 2023 , Edited by admin on Sat Dec 16 12:50:17 GMT 2023
PRIMARY
NSC
629283
Created by admin on Sat Dec 16 12:50:17 GMT 2023 , Edited by admin on Sat Dec 16 12:50:17 GMT 2023
PRIMARY
NSC
40452
Created by admin on Sat Dec 16 12:50:17 GMT 2023 , Edited by admin on Sat Dec 16 12:50:17 GMT 2023
PRIMARY