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Details

Stereochemistry ACHIRAL
Molecular Formula C5H7NS
Molecular Weight 113.181
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-BUTENYL ISOTHIOCYANATE

SMILES

C=CCCN=C=S

InChI

InChIKey=SKIHGKNFJKJXPX-UHFFFAOYSA-N
InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Evaluation of antibacterial activity of 3-butenyl, 4-pentenyl, 2-phenylethyl, and benzyl isothiocyanate in Brassica vegetables.
2010-09
Transcript and protein profiling identify candidate gene sets of potential adaptive significance in New Zealand Pachycladon.
2010-05-20
Semiquantitative analysis of 3-butenyl isothiocyanate to monitor an off-flavor in mustard seeds and glycosinolates screening for origin identification.
2010-03-24
Modifying the alkylglucosinolate profile in Arabidopsis thaliana alters the tritrophic interaction with the herbivore Brevicoryne brassicae and parasitoid Diaeretiella rapae.
2009-08
Comparative innate responses of the aphid parasitoid Diaeretiella rapae to alkenyl glucosinolate derived isothiocyanates, nitriles, and epithionitriles.
2008-10
A Comparison of Semiochemically Mediated Interactions Involving Specialist and Generalist Brassica-feeding Aphids and the Braconid Parasitoid Diaeretiella rapae.
2007-04
Effects of Brussels sprout juice on the cell cycle and adhesion of human colorectal carcinoma cells (HT29) in vitro.
2005-05-18
Simultaneous monitoring of volatile selenium and sulfur species from se accumulating plants (wild type and genetically modified) by GC/MS and GC/ICPMS using solid-phase microextraction for sample introduction.
2002-11-15
Name Type Language
3-BUTENYL ISOTHIOCYANATE
FHFI  
Systematic Name English
FEMA NO. 4418
Preferred Name English
1-BUTENE, 4-ISOTHIOCYANATO-
Systematic Name English
ISOTHIOCYANIC ACID, 3-BUTENYL ESTER
Common Name English
4-ISOTHIOCYANATO-1-BUTENE
Systematic Name English
3-BUTENYL ISOTHIOCYANATE [FHFI]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
222-209-8
Created by admin on Mon Mar 31 19:34:14 GMT 2025 , Edited by admin on Mon Mar 31 19:34:14 GMT 2025
PRIMARY
PUBCHEM
76922
Created by admin on Mon Mar 31 19:34:14 GMT 2025 , Edited by admin on Mon Mar 31 19:34:14 GMT 2025
PRIMARY
JECFA MONOGRAPH
1867
Created by admin on Mon Mar 31 19:34:14 GMT 2025 , Edited by admin on Mon Mar 31 19:34:14 GMT 2025
PRIMARY
FDA UNII
13O98H1EW1
Created by admin on Mon Mar 31 19:34:14 GMT 2025 , Edited by admin on Mon Mar 31 19:34:14 GMT 2025
PRIMARY
CAS
3386-97-8
Created by admin on Mon Mar 31 19:34:14 GMT 2025 , Edited by admin on Mon Mar 31 19:34:14 GMT 2025
PRIMARY
EPA CompTox
DTXSID30187494
Created by admin on Mon Mar 31 19:34:14 GMT 2025 , Edited by admin on Mon Mar 31 19:34:14 GMT 2025
PRIMARY