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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

Approval Year

PubMed

PubMed

TitleDatePubMed
Monitoring of isothiocyanates emanating from Arabidopsis thaliana upon paraquat spraying.
2001 Mar 30
Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry.
2002 Jul 31
The new isothiocyanate 4-(methylthio)butylisothiocyanate selectively affects cell-cycle progression and apoptosis induction of human leukemia cells.
2004 Apr
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