(Q7181339)

Phenethyl isothiocyanate (English)

12 October 2016

chemical formula

C₉H₉NS

1 reference

Phenethyl isothiocyanate (English)

12 October 2016

canonical SMILES

C1=CC=C(C=C1)CCN=C=S

1 reference

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

Phenethyl isothiocyanate (English)

12 October 2016

1 reference

Barbarea verna

1 reference

Seed ofBarbarea vernaas a Rich Source of Phenethyl Isothiocyanate to Provide Natural Protection from Environmental and Dietary Toxins

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

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

Brassica campestris

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

Nasturtium officinale

1 reference

7-Methylsulfinylheptyl and 8-methylsulfinyloctyl isothiocyanates from watercress are potent inducers of phase II enzymes.

Eutrema japonicum

1 reference

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

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

physically interacts with

taste receptor type 2

subject has role

agonist

1 reference

The Molecular Receptive Ranges of Human TAS2R Bitter Taste Receptors

1 reference

1 reference

15 March 2018

1 reference

15 March 2018

1 reference

InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2

15 March 2018

Phenethyl isothiocyanate

0 references

Identifiers

InChI

1 reference

Phenethyl isothiocyanate (English)

12 October 2016

2 references

Phenethyl isothiocyanate (English)

12 October 2016

ChEBI release 2020-09-01

2 references

phenethyl isothiocyanate (English)

12 October 2016

https://commonchemistry.cas.org/detail?cas_rn=2257-09-2

9 April 2021

1 reference

Phenethyl isothiocyanate (English)

12 October 2016

2 references

Phenethyl isothiocyanate (English)

12 October 2016

Reaxys registry number

2084162

1 reference

phenethyl isothiocyanate (English)

12 October 2016

ChEBI ID

351346

mapping relation type

2 references

phenethyl isothiocyanate (English)

12 October 2016

International Chemical Identifier

InChI

InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2

1 reference

PHENETHYLISOTHIOCYANATE (English)

12 October 2016

2 references

inferred from InChIKey

MSBNK-Fac_Eng_Univ_Tokyo-JP000925

1 reference

MassBank accession ID

0 references

SPLASH

splash10-0006-9300000000-dce10ef46bd36fa88995

0 references

splash10-0006-9400000000-89e2793dff2133a5d196

0 references

NMRShiftDB structure ID

20209719

1 reference

DSSTox substance ID

DTXSID5021120

2 references

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

DSSTOX compound identifier

0 references

0 references

218-855-5

1 reference

Global Substance Registration System

UNII

6U7TFK75KV

PHENETHYL ISOTHIOCYANATE (English)

ECHA Substance Infocard ID

12 October 2016

100.017.142

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.017.142

27 December 2018

Phenethyl isothiocyanate (English)

quotation

CAS no.: 2257-09-2 (English)

FL number

12.193

1 reference

quotation

CAS no.: 2257-09-2 (English)

23 January 2021

12.193

1 reference

28 December 2019

PHENETHYL ISOTHIOCYANATE (English)

quotation

CAS no.: 2257-09-2 (English)

MeSH descriptor ID

C058305

subject named as

phenethyl isothiocyanate

1 reference

14 March 2018

1 reference

Human Metabolome Database ID

HMDB0038445

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00057265

2 references

based on heuristic

inferred from InChIKey

UNII

6U7TFK75KV

2 references

Global Substance Registration System

UNII

6U7TFK75KV

PHENETHYL ISOTHIOCYANATE (English)

12 October 2016

Immune Epitope Database and Analysis Resource

0 references

1 reference

1 March 2022

0 references

1563

1 reference

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

https://docs.openalex.org/download-snapshot/snapshot-data-format

13 May 2021

Microsoft Academic ID

0 references

0 references

1 reference

26 January 2022

UMLS CUI

C0070558

1 reference

based on heuristic

inferred by common MeSH mappings on source and on Wikidata

UMLS 2023