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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H9NS
Molecular Weight 127.207
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-PENTENYL ISOTHIOCYANATE

SMILES

C=CCCCN=C=S

InChI

InChIKey=DBISBKDNOKIADM-UHFFFAOYSA-N
InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Name Type Language
4-PENTENYL ISOTHIOCYANATE
FHFI  
Systematic Name English
FEMA NO. 4427
Code English
1-PENTENE, 5-ISOTHIOCYANATO-
Systematic Name English
4-PENTENYL ISOTHIOCYANATE [FHFI]
Common Name English
ISOTHIOCYANIC ACID, 4-PENTENYL ESTER
Common Name English
Code System Code Type Description
PUBCHEM
87436
Created by admin on Fri Dec 15 19:07:10 GMT 2023 , Edited by admin on Fri Dec 15 19:07:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID70170986
Created by admin on Fri Dec 15 19:07:10 GMT 2023 , Edited by admin on Fri Dec 15 19:07:10 GMT 2023
PRIMARY
CAS
18060-79-2
Created by admin on Fri Dec 15 19:07:10 GMT 2023 , Edited by admin on Fri Dec 15 19:07:10 GMT 2023
PRIMARY
FDA UNII
HL8X1CRR9B
Created by admin on Fri Dec 15 19:07:10 GMT 2023 , Edited by admin on Fri Dec 15 19:07:10 GMT 2023
PRIMARY
JECFA MONOGRAPH
1871
Created by admin on Fri Dec 15 19:07:10 GMT 2023 , Edited by admin on Fri Dec 15 19:07:10 GMT 2023
PRIMARY