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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H10N2O2S
Molecular Weight 210.253
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-(2-Oxo-2-(phenylamino)ethyl)thiocarbamate

SMILES

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

InChI

InChIKey=CEINNGQDMFZTJK-UHFFFAOYSA-N
InChI=1S/C9H10N2O2S/c10-9(13)14-6-8(12)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13)(H,11,12)

HIDE SMILES / InChI

Approval Year

Name Type Language
S-(2-Oxo-2-(phenylamino)ethyl)thiocarbamate
Systematic Name English
NSC-13336
Preferred Name English
Carbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester
Systematic Name English
Code System Code Type Description
FDA UNII
P6SH735PBJ
Created by admin on Tue Apr 01 19:34:42 GMT 2025 , Edited by admin on Tue Apr 01 19:34:42 GMT 2025
PRIMARY
CAS
5428-95-5
Created by admin on Tue Apr 01 19:34:42 GMT 2025 , Edited by admin on Tue Apr 01 19:34:42 GMT 2025
PRIMARY
PUBCHEM
224656
Created by admin on Tue Apr 01 19:34:42 GMT 2025 , Edited by admin on Tue Apr 01 19:34:42 GMT 2025
PRIMARY
NSC
13336
Created by admin on Tue Apr 01 19:34:42 GMT 2025 , Edited by admin on Tue Apr 01 19:34:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID4063876
Created by admin on Tue Apr 01 19:34:42 GMT 2025 , Edited by admin on Tue Apr 01 19:34:42 GMT 2025
PRIMARY