ERUCIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H11NS2
Molecular Weight	161.288
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ERUCIN

Structure Search

SMILES

CSCCCCN=C=S

InChI

InChIKey=IHQDGXUYTSZGOG-UHFFFAOYSA-N

InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

Title	Date	PubMed
Modulation of rat pulmonary carcinogen-metabolising enzyme systems by the isothiocyanates erucin and sulforaphane.	2009 Jan 27	18823965
Potential skin antiinflammatory effects of 4-methylthiobutylisothiocyanate (MTBI) isolated from rocket (Eruca sativa) seeds.	2009 May-Jun	19459144

Name

Type

Language

ERUCIN

Common Name

English

FEMA NO. 4414

Code

English

4-(METHYLTHIO)BUTYL ISOTHIOCYANATE

Systematic Name

English

4-(METHYLTHIO)BUTYL ISOTHIOCYANATE [FHFI]

Common Name

English

BUTANE, 1-ISOTHIOCYANATO-4-(METHYLTHIO)-

Systematic Name

English

ISOTHIOCYANIC ACID, 4-(METHYLTHIO)BUTYL ESTER

Common Name

English

Code System Code Type Description

MESH

C073539

Created by admin on Fri Dec 15 18:50:32 GMT 2023 , Edited by admin on Fri Dec 15 18:50:32 GMT 2023

PRIMARY

CAS

4430-36-8

Created by admin on Fri Dec 15 18:50:32 GMT 2023 , Edited by admin on Fri Dec 15 18:50:32 GMT 2023

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EPA CompTox

DTXSID80196117

Created by admin on Fri Dec 15 18:50:32 GMT 2023 , Edited by admin on Fri Dec 15 18:50:32 GMT 2023

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JECFA MONOGRAPH

1870

Created by admin on Fri Dec 15 18:50:32 GMT 2023 , Edited by admin on Fri Dec 15 18:50:32 GMT 2023

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FDA UNII

CTE370DL3U

Created by admin on Fri Dec 15 18:50:32 GMT 2023 , Edited by admin on Fri Dec 15 18:50:32 GMT 2023

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PUBCHEM

78160

Created by admin on Fri Dec 15 18:50:32 GMT 2023 , Edited by admin on Fri Dec 15 18:50:32 GMT 2023

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SUBSTANCE RECORD


					CTE370DL3U

ERUCIN