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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
Chemical composition and antimicrobial activity of volatiles from Degenia velebitica, a European stenoendemic plant of the Brassicaceae family.
2010-11
Evaluation of antibacterial activity of 3-butenyl, 4-pentenyl, 2-phenylethyl, and benzyl isothiocyanate in Brassica vegetables.
2010-09
Hexane extract of Raphanus sativus L. roots inhibits cell proliferation and induces apoptosis in human cancer cells by modulating genes related to apoptotic pathway.
2010-09
Name Type Language
FEMA NO. 4427
Preferred Name English
4-PENTENYL ISOTHIOCYANATE
FHFI  
Systematic Name 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 Mon Mar 31 19:32:44 GMT 2025 , Edited by admin on Mon Mar 31 19:32:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID70170986
Created by admin on Mon Mar 31 19:32:44 GMT 2025 , Edited by admin on Mon Mar 31 19:32:44 GMT 2025
PRIMARY
CAS
18060-79-2
Created by admin on Mon Mar 31 19:32:44 GMT 2025 , Edited by admin on Mon Mar 31 19:32:44 GMT 2025
PRIMARY
FDA UNII
HL8X1CRR9B
Created by admin on Mon Mar 31 19:32:44 GMT 2025 , Edited by admin on Mon Mar 31 19:32:44 GMT 2025
PRIMARY
JECFA MONOGRAPH
1871
Created by admin on Mon Mar 31 19:32:44 GMT 2025 , Edited by admin on Mon Mar 31 19:32:44 GMT 2025
PRIMARY