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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H11NS
Molecular Weight 129.223
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Isopropylthio)propionitrile

SMILES

CC(C)SCCC#N

InChI

InChIKey=JHAMSNXTZUOQNB-UHFFFAOYSA-N
InChI=1S/C6H11NS/c1-6(2)8-5-3-4-7/h6H,3,5H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
3-(Isopropylthio)propionitrile
Systematic Name English
2-Cyanoethyl isopropyl sulfide
Systematic Name English
3-Propan-2-ylsulfanylpropanenitrile
Systematic Name English
Propanenitrile, 3-[(1-methylethyl)thio]-
Systematic Name English
NSC-2237
Code English
3-[(1-Methylethyl)thio]propanenitrile
Systematic Name English
Code System Code Type Description
CAS
53584-04-6
Created by admin on Sat Dec 16 19:13:50 GMT 2023 , Edited by admin on Sat Dec 16 19:13:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID30277400
Created by admin on Sat Dec 16 19:13:50 GMT 2023 , Edited by admin on Sat Dec 16 19:13:50 GMT 2023
PRIMARY
PUBCHEM
220030
Created by admin on Sat Dec 16 19:13:50 GMT 2023 , Edited by admin on Sat Dec 16 19:13:50 GMT 2023
PRIMARY
FDA UNII
HTW7N885ZK
Created by admin on Sat Dec 16 19:13:50 GMT 2023 , Edited by admin on Sat Dec 16 19:13:50 GMT 2023
PRIMARY
NSC
2237
Created by admin on Sat Dec 16 19:13:50 GMT 2023 , Edited by admin on Sat Dec 16 19:13:50 GMT 2023
PRIMARY