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 ISOAMYL ISOTHIOCYANATE

SMILES

CC(C)CCN=C=S

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOAMYL ISOTHIOCYANATE
FHFI  
Systematic Name English
BUTANE, 1-ISOTHIOCYANATO-3-METHYL-
Systematic Name English
ISOPENTYL ISOTHIOCYANATE
Systematic Name English
ISOAMYL ISOTHIOCYANATE [FHFI]
Common Name English
1-ISOTHIOCYANATO-3-METHYLBUTANE
Systematic Name English
ISOTHIOCYANIC ACID, ISOPENTYL ESTER
Common Name English
3-METHYLBUTYL ISOTHIOCYANATE
Systematic Name English
FEMA NO. 4423
Code English
Code System Code Type Description
CAS
628-03-5
Created by admin on Sat Dec 16 02:14:57 GMT 2023 , Edited by admin on Sat Dec 16 02:14:57 GMT 2023
PRIMARY
PUBCHEM
79086
Created by admin on Sat Dec 16 02:14:57 GMT 2023 , Edited by admin on Sat Dec 16 02:14:57 GMT 2023
PRIMARY
FDA UNII
HLP916O2C9
Created by admin on Sat Dec 16 02:14:57 GMT 2023 , Edited by admin on Sat Dec 16 02:14:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID00211876
Created by admin on Sat Dec 16 02:14:57 GMT 2023 , Edited by admin on Sat Dec 16 02:14:57 GMT 2023
PRIMARY
JECFA MONOGRAPH
1865
Created by admin on Sat Dec 16 02:14:57 GMT 2023 , Edited by admin on Sat Dec 16 02:14:57 GMT 2023
PRIMARY