benzyl isothiocyanate (Q18341725)

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chemical compound

alpha-isothiocyanatotoluene
Isothiocyanic acid, benzyl ester

Language	Label	Description	Also known as
English	benzyl isothiocyanate	chemical compound	alpha-isothiocyanatotoluene Isothiocyanic acid, benzyl ester

Statements

type of chemical entity

0 references

chemical compound

0 references

thiocyanate isomerase activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

chemical structure

Benzyl isothiocyanate.svg
512 × 269; 10 KB

0 references

149.02992 dalton

1 reference

language of work or name

benzyl isothiocyanate (English)

5 October 2016

chemical formula

C₈H₇NS

1 reference

language of work or name

benzyl isothiocyanate (English)

5 October 2016

canonical SMILES

C1=CC=C(C=C1)CN=C=S

1 reference

language of work or name

benzyl isothiocyanate (English)

5 October 2016

1.1234±0.0001 gram per cubic centimetre

20±1 degree Celsius

1 reference

http://www.cas.org/motw/benzylisothiocyanate

41±1 degree Celsius

1 reference

http://www.cas.org/motw/benzylisothiocyanate

243±1 degree Celsius

1 reference

http://www.cas.org/motw/benzylisothiocyanate

2 references

Glucosinolates of seven medicinal plants from Thailand

Chemical profiling and standardization of Lepidium meyenii (Maca) by reversed phase high performance liquid chromatography

3 references

Free and bound terpene compounds in papaya (Carica papaya, L.) fruit pulp

Benzyl isothiocyanate is the chief or sole anthelmintic in papaya seed extracts

Volatile components of papaya (Carica papaya L.) with particular reference to glucosinolate products

Erucaria microcarpa

1 reference

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

Acanthella cavernosa

1 reference

A comparison of sesquiterpene scaffolds across different populations of the tropical marine sponge Acanthella cavernosa.

Lepidium meyenii

2 references

Chemical profiling and standardization of Lepidium meyenii (Maca) by reversed phase high performance liquid chromatography

Investigation of the tuber constituents of maca (Lepidium meyenii Walp.).

1 reference

Antiasthmatic effects of onion extracts--detection of benzyl- and other isothiocyanates (mustard oils) as antiasthmatic compounds of plant origin.

Simicratea welwitschii

1 reference

Antibacterial Aromatic Isothiocyanates from the Essential Oil of Hippocratea welwitschii Roots

1 reference

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

Pentadiplandra brazzeana

1 reference

Isothiocyanates, thiourees et thiocarbamates isoles de Pentadiplandra brazzeana

Tropaeolum majus

2 references

Das ätherische Oel von Tropaeolum majus

Das fette Oel von Tropaeolum majus

Alliaria petiolata

1 reference

Free and Bound Volatiles of Garlic Mustard (Alliaria petiolata)

Lepidium apetalum

1 reference

Chemical profiling and standardization of Lepidium meyenii (Maca) by reversed phase high performance liquid chromatography

Lepidium densiflorum

1 reference

Chemical profiling and standardization of Lepidium meyenii (Maca) by reversed phase high performance liquid chromatography

Mangifera indica

1 reference

Volatile components from mango (Mangifera indica L.) cultivars

Thulinella chrysantha

1 reference

Isothiocyanates in myrosinase treated herb extract of Cleome chrysantha decne. and their antimicrobial activities

Cleome chrysantha

1 reference

Isothiocyanates in myrosinase treated herb extract of Cleome chrysantha decne. and their antimicrobial activities

subject has role

1 reference

Commons category

Benzyl isothiocyanate

0 references

Identifiers

InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2

1 reference

language of work or name

benzyl isothiocyanate (English)

5 October 2016

MDKCFLQDBWCQCV-UHFFFAOYSA-N

2 references

language of work or name

benzyl isothiocyanate (English)

5 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

benzyl isothiocyanate (English)

5 October 2016

CAS Common Chemistry

6 April 2021

https://commonchemistry.cas.org/detail?cas_rn=622-78-6

MDKCFLQDBWCQCV-UHFFFAOYSA-N

1 reference

language of work or name

a-Isothiocyanatotoluene (English)

5 October 2016

2 references

language of work or name

benzyl isothiocyanate (English)

5 October 2016

matched by identifier from

MDKCFLQDBWCQCV-UHFFFAOYSA-N

Reaxys registry number

386135

1 reference

language of work or name

benzyl isothiocyanate (English)

5 October 2016

mapping relation type

2 references

language of work or name

benzyl isothiocyanate (English)

5 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2

1 reference

language of work or name

BENZYL ISOTHIOCYANATE (English)

5 October 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

MDKCFLQDBWCQCV-UHFFFAOYSA-N

UniChem compound ID

1 reference

NX8250000

1 reference

imported from Wikimedia project

French Wikipedia

DSSTox substance ID

2 references

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

matched by identifier from

MDKCFLQDBWCQCV-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

0 references

0 references

1 reference

Global Substance Registration System

language of work or name

BENZYL ISOTHIOCYANATE (English)

5 October 2016

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Benzyl isothiocyanate (English)

CAS no.: 622-78-6 (English)

12.102

1 reference

CAS no.: 622-78-6 (English)

23 January 2021

12.102

1 reference

matched by identifier from

MDKCFLQDBWCQCV-UHFFFAOYSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

MDKCFLQDBWCQCV-UHFFFAOYSA-N

3 references

language of work or name

benzyl isothiocyanate (English)

5 October 2016

based on heuristic

inferred from InChIKey

matched by identifier from

MDKCFLQDBWCQCV-UHFFFAOYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

MDKCFLQDBWCQCV-UHFFFAOYSA-N

2 references

Global Substance Registration System

language of work or name

BENZYL ISOTHIOCYANATE (English)

5 October 2016

matched by identifier from

MDKCFLQDBWCQCV-UHFFFAOYSA-N

Probes And Drugs ID

0 references

0 references

1 reference

6 April 2020

Google Knowledge Graph ID

0 references

1562

1 reference

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

13 May 2021

Microsoft Academic ID

0 references

1 reference

26 January 2022

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

Sitelinks

Wikipedia(6 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(1 entry)

commonswiki Category:Benzyl isothiocyanate

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