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Details

Stereochemistry ACHIRAL
Molecular Formula C6H9NO2S
Molecular Weight 159.206
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPYL THIOCYANATOACETATE

SMILES

CCCOC(=O)CSC#N

InChI

InChIKey=CVNWOVUZADASQH-UHFFFAOYSA-N
InChI=1S/C6H9NO2S/c1-2-3-9-6(8)4-10-5-7/h2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula C6H9NO2S
Molecular Weight 159.206
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 Tue Apr 01 19:44:30 GMT 2025
Edited
by admin
on Tue Apr 01 19:44:30 GMT 2025
Record UNII
ATK1VM2J9Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPYL THIOCYANATOACETATE
Common Name English
NSC-1191
Preferred Name English
ACETIC ACID, 2-THIOCYANATO-, PROPYL ESTER
Systematic Name English
ACETIC ACID, THIOCYANATO-, PROPYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
ATK1VM2J9Z
Created by admin on Tue Apr 01 19:44:30 GMT 2025 , Edited by admin on Tue Apr 01 19:44:30 GMT 2025
PRIMARY
CAS
5349-21-3
Created by admin on Tue Apr 01 19:44:30 GMT 2025 , Edited by admin on Tue Apr 01 19:44:30 GMT 2025
PRIMARY
PUBCHEM
21444
Created by admin on Tue Apr 01 19:44:30 GMT 2025 , Edited by admin on Tue Apr 01 19:44:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID60201672
Created by admin on Tue Apr 01 19:44:30 GMT 2025 , Edited by admin on Tue Apr 01 19:44:30 GMT 2025
PRIMARY
NSC
1191
Created by admin on Tue Apr 01 19:44:30 GMT 2025 , Edited by admin on Tue Apr 01 19:44:30 GMT 2025
PRIMARY