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 1
Charge 0

SHOW SMILES / InChI
Structure of AMYL ISOTHIOCYANATE

SMILES

CCCCCN=C=S

InChI

InChIKey=SGHJUJBYMSVAJY-UHFFFAOYSA-N
InChI=1S/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
AMYL ISOTHIOCYANATE
FHFI  
Systematic Name English
N-PENTYL ISOTHIOCYANATE
Common Name English
ISOTHIOCYANIC ACID, PENTYL ESTER
Common Name English
1-PENTYL ISOTHIOCYANATE
Systematic Name English
PENTANE, 1-ISOTHIOCYANATO-
Systematic Name English
PENTYL ISOTHIOCYANATE
Systematic Name English
AMYL ISOTHIOCYANATE [FHFI]
Common Name English
FEMA NO. 4417
Code English
1-ISOTHIOCYANATOPENTANE
Systematic Name English
Code System Code Type Description
PUBCHEM
69415
Created by admin on Fri Dec 15 18:18:38 GMT 2023 , Edited by admin on Fri Dec 15 18:18:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
211-075-6
Created by admin on Fri Dec 15 18:18:38 GMT 2023 , Edited by admin on Fri Dec 15 18:18:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID10212071
Created by admin on Fri Dec 15 18:18:38 GMT 2023 , Edited by admin on Fri Dec 15 18:18:38 GMT 2023
PRIMARY
CAS
629-12-9
Created by admin on Fri Dec 15 18:18:38 GMT 2023 , Edited by admin on Fri Dec 15 18:18:38 GMT 2023
PRIMARY
FDA UNII
KL6U8NL15R
Created by admin on Fri Dec 15 18:18:38 GMT 2023 , Edited by admin on Fri Dec 15 18:18:38 GMT 2023
PRIMARY
JECFA MONOGRAPH
1869
Created by admin on Fri Dec 15 18:18:38 GMT 2023 , Edited by admin on Fri Dec 15 18:18:38 GMT 2023
PRIMARY