3-butenyl isothiocyanate (Q27251535)

3-Butenyl isothiocyanate (English)

14 October 2016

chemical formula

C₅H₇NS

1 reference

3-Butenyl isothiocyanate (English)

14 October 2016

canonical SMILES

C=CCCN=C=S

1 reference

Glucosinolates and derived products in cruciferous vegetables. Identification of organic nitriles from cabbage

3-Butenyl isothiocyanate (English)

14 October 2016

2 references

Investigation of Brassica oleracea and Nasturtium officinale seeds for the presence of epithiospecifier protein

radish

1 reference

Glucosinolates of seven medicinal plants from Thailand

Diplotaxis harra

1 reference

Antimicrobial components of some cruciferae plants (Diplotaxis harra Forsk. and Erucaria microcarpa Boiss.)

Eutrema japonicum

2 references

Analysis of Volatile Components in Essential Oil of UplandWasabiand Their Inhibitory Effects on Platelet Aggregation

Isothiocyanates in the stems and the leaves of wasabi (Wasabia japonica Matsum).

Descurainia sophia

1 reference

Comparative study of the volatile aglucones of glucosinolates from in vivo and in vitro grown Descurainia sophia and Alyssum minimum using gas chromatography—mass spectrometry

rapeseed

5 references

Headspace volatiles of whole plants and macerated plant parts of Brassica and Sinapis

Differences of degradation products from glucosinolates in rape seeds (Brassica napus L.) on the basis of experimental conditions.

L'isosulfocyanate des graines de Brassica napus

Differences of Degradation Products from Glucosinolates in Rape Seeds (Brassica napus L.) on the Basis of Experimental Conditions

GC-MS Analysis of the Extracts from Korean Cabbage (Brassica campestris L. ssp. pekinensis) and Its Seed

Brassica campestris

1 reference

Headspace volatiles of whole plants and macerated plant parts of Brassica and Sinapis

Sinapis alba

1 reference

Headspace volatiles of whole plants and macerated plant parts of Brassica and Sinapis

Brassica carinata

1 reference

Headspace volatiles of whole plants and macerated plant parts of Brassica and Sinapis

Brassica rapa

2 references

Headspace volatiles of whole plants and macerated plant parts of Brassica and Sinapis

GC-MS Analysis of the Extracts from Korean Cabbage (Brassica campestris L. ssp. pekinensis) and Its Seed

Identifiers

InChI

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

1 reference

3-Butenyl isothiocyanate (English)

14 October 2016

2 references

3-Butenyl isothiocyanate (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

3386-97-8

2 references

Global Substance Registration System

https://commonchemistry.cas.org/detail?cas_rn=3386-97-8

3-butenyl isothiocyanate (English)

14 October 2016

7 April 2021

1 reference

4-Isothiocyanato-1-butene (English)

14 October 2016

2 references

3-Butenyl isothiocyanate (English)

14 October 2016

ChEBI ID

138747

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

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

1 reference

MSBNK-Fac_Eng_Univ_Tokyo-JP000919

CHEMBL3593942 (English)

14 October 2016

1 reference

MassBank accession ID

0 references

SPLASH

splash10-05fr-9200000000-1a40200ada4e3470682d

0 references

DSSTox substance ID

DTXSID30187494

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID40109985

0 references

EC number

222-209-8

1 reference

Global Substance Registration System

3-butenyl isothiocyanate (English)

ECHA Substance Infocard ID

14 October 2016

100.020.191

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.020.191

27 December 2018

AICS Chemical ID (BEING DELETED)

3-butenyl isothiocyanate (English)

quotation

CAS no.: 3386-97-8 (English)

FL number

12.283

1 reference

quotation

CAS no.: 3386-97-8 (English)

23 January 2021

12.283

8144

0 references

Human Metabolome Database ID

HMDB0033867

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

3-butenyl isothiocyanate (English)

14 October 2016

JECFA number

1889

1 reference

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)