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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NS
Molecular Weight 163.239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Phenylthio)propanenitrile

SMILES

N#CCCSC1=CC=CC=C1

InChI

InChIKey=WKFMBEQIFSBLPI-UHFFFAOYSA-N
InChI=1S/C9H9NS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,8H2

HIDE SMILES / InChI

Molecular Formula C9H9NS
Molecular Weight 163.239
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 18:49:50 GMT 2023
Edited
by admin
on Sat Dec 16 18:49:50 GMT 2023
Record UNII
ZT5CBZ4HJN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Phenylthio)propanenitrile
Systematic Name English
Propanenitrile, 3-(phenylthio)-
Systematic Name English
3-(Phenylthio)propanonitrile
Systematic Name English
2-Cyanoethyl phenyl sulfide
Systematic Name English
3-Phenylthiopropionitrile
Systematic Name English
Propionitrile, 3-(phenylthio)-
Systematic Name English
NSC-2238
Code English
Code System Code Type Description
NSC
2238
Created by admin on Sat Dec 16 18:49:50 GMT 2023 , Edited by admin on Sat Dec 16 18:49:50 GMT 2023
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EPA CompTox
DTXSID90952847
Created by admin on Sat Dec 16 18:49:50 GMT 2023 , Edited by admin on Sat Dec 16 18:49:50 GMT 2023
PRIMARY
CAS
3055-87-6
Created by admin on Sat Dec 16 18:49:50 GMT 2023 , Edited by admin on Sat Dec 16 18:49:50 GMT 2023
PRIMARY
PUBCHEM
220031
Created by admin on Sat Dec 16 18:49:50 GMT 2023 , Edited by admin on Sat Dec 16 18:49:50 GMT 2023
PRIMARY
FDA UNII
ZT5CBZ4HJN
Created by admin on Sat Dec 16 18:49:50 GMT 2023 , Edited by admin on Sat Dec 16 18:49:50 GMT 2023
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