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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H13NS
Molecular Weight 143.25
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-THIOCYANOHEXANE

SMILES

CCCCCCSC#N

InChI

InChIKey=BESHFZBHEPQOSU-UHFFFAOYSA-N
InChI=1S/C7H13NS/c1-2-3-4-5-6-9-7-8/h2-6H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-9042
Preferred Name English
1-THIOCYANOHEXANE
Systematic Name English
THIOCYANIC ACID, HEXYL ESTER
Common Name English
HEXYL THIOCYANATE
Common Name English
1-HEXYL THIOCYANATE
Systematic Name English
Code System Code Type Description
NSC
9042
Created by admin on Tue Apr 01 19:57:22 GMT 2025 , Edited by admin on Tue Apr 01 19:57:22 GMT 2025
PRIMARY
FDA UNII
SCX6IA45CK
Created by admin on Tue Apr 01 19:57:22 GMT 2025 , Edited by admin on Tue Apr 01 19:57:22 GMT 2025
PRIMARY
CAS
6803-40-3
Created by admin on Tue Apr 01 19:57:22 GMT 2025 , Edited by admin on Tue Apr 01 19:57:22 GMT 2025
PRIMARY
PUBCHEM
81257
Created by admin on Tue Apr 01 19:57:22 GMT 2025 , Edited by admin on Tue Apr 01 19:57:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID30218217
Created by admin on Tue Apr 01 19:57:22 GMT 2025 , Edited by admin on Tue Apr 01 19:57:22 GMT 2025
PRIMARY