benzyl isothiocyanate (Q18341725)

Gene Ontology release 2020-05-02

Rhea release 113

chemical structure

Benzyl isothiocyanate.svg
512 × 269; 10 KB

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mass

149.02992 dalton

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benzyl isothiocyanate (English)

5 October 2016

chemical formula

C₈H₇NS

1 reference

benzyl isothiocyanate (English)

5 October 2016

canonical SMILES

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

1 reference

benzyl isothiocyanate (English)

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

5 October 2016

density

1.1234±0.0001 gram per cubic centimetre

temperature

20±1 degree Celsius

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reference URL

melting point

41±1 degree Celsius

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reference URL

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

boiling point

243±1 degree Celsius

1 reference

reference URL

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

found in taxon

garden cress

2 references

Glucosinolates of seven medicinal plants from Thailand

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

Carica papaya

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.).

Allium cepa

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

Sinapis alba

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

1 reference

Benzyl isothiocyanate

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Identifiers

InChI

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

1 reference

benzyl isothiocyanate (English)

5 October 2016

2 references

benzyl isothiocyanate (English)

5 October 2016

ChEBI release 2020-09-01

2 references

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

benzyl isothiocyanate (English)

5 October 2016

6 April 2021

1 reference

a-Isothiocyanatotoluene (English)

5 October 2016

2 references

benzyl isothiocyanate (English)

5 October 2016

Reaxys registry number

386135

1 reference

benzyl isothiocyanate (English)

5 October 2016

ChEBI ID

17484

mapping relation type

2 references

benzyl isothiocyanate (English)

5 October 2016

International Chemical Identifier

InChI

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

1 reference

BENZYL ISOTHIOCYANATE (English)

5 October 2016

2 references

imported from Wikimedia project

1 reference

NX8250000

1 reference

2 references

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

DSSTOX compound identifier

0 references

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1 reference

Global Substance Registration System

UNII

871J6YOR8Q

BENZYL ISOTHIOCYANATE (English)

ECHA Substance Infocard ID

5 October 2016

100.009.777

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.009.777

27 December 2018

Benzyl isothiocyanate (English)

quotation

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

FL number

12.102

1 reference

quotation

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

23 January 2021

12.102

1 reference

Human Metabolome Database ID

HMDB0033969

2 references

based on heuristic

3 references

benzyl isothiocyanate (English)

5 October 2016

based on heuristic

C00032761

2 references

based on heuristic

UNII

871J6YOR8Q

2 references

Global Substance Registration System

UNII

871J6YOR8Q

BENZYL ISOTHIOCYANATE (English)

5 October 2016

Google Knowledge Graph ID

0 references

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1 reference

6 April 2020

/g/11b6dczzsb

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JECFA number

1562

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