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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

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

Molecular Formula C6H11NS2
Molecular Weight 161.288
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Intact glucosinolates modulate hepatic cytochrome P450 and phase II conjugation activities and may contribute directly to the chemopreventive activity of cruciferous vegetables.
2010 Nov 9
The naturally occurring aliphatic isothiocyanates sulforaphane and erucin are weak agonists but potent non-competitive antagonists of the aryl hydrocarbon receptor.
2012 Oct
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:50:32 GMT 2023
Edited
by admin
on Fri Dec 15 18:50:32 GMT 2023
Record UNII
CTE370DL3U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ERUCIN
Common Name English
FEMA NO. 4414
Code English
4-(METHYLTHIO)BUTYL ISOTHIOCYANATE
FHFI  
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY