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Details

Stereochemistry ACHIRAL
Molecular Formula C8H15NS2
Molecular Weight 189.341
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 6-(METHYLTHIO)HEXYL ISOTHIOCYANATE

SMILES

CSCCCCCCN=C=S

InChI

InChIKey=YIBXPFAXPUDDTK-UHFFFAOYSA-N
InChI=1S/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
6-(METHYLTHIO)HEXYL ISOTHIOCYANATE
FHFI  
Systematic Name English
6-(METHYLTHIO)HEXYL ISOTHIOCYANATE [FHFI]
Preferred Name English
HEXANE, 1-ISOTHIOCYANATO-6-(METHYLTHIO)-
Systematic Name English
FEMA NO. 4415
Common Name English
6-METHYLTHIOHEXYL ISOTHIOCYANATE
Systematic Name English
ISOTHIOCYANIC ACID, 6-(METHYLTHIO)HEXYL ESTER
Common Name English
LESQUERELLIN
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40196118
Created by admin on Mon Mar 31 20:16:31 GMT 2025 , Edited by admin on Mon Mar 31 20:16:31 GMT 2025
PRIMARY
FDA UNII
63844HOL2H
Created by admin on Mon Mar 31 20:16:31 GMT 2025 , Edited by admin on Mon Mar 31 20:16:31 GMT 2025
PRIMARY
MESH
C410683
Created by admin on Mon Mar 31 20:16:31 GMT 2025 , Edited by admin on Mon Mar 31 20:16:31 GMT 2025
PRIMARY
CAS
4430-39-1
Created by admin on Mon Mar 31 20:16:31 GMT 2025 , Edited by admin on Mon Mar 31 20:16:31 GMT 2025
PRIMARY
JECFA MONOGRAPH
1875
Created by admin on Mon Mar 31 20:16:31 GMT 2025 , Edited by admin on Mon Mar 31 20:16:31 GMT 2025
PRIMARY
PUBCHEM
165224
Created by admin on Mon Mar 31 20:16:31 GMT 2025 , Edited by admin on Mon Mar 31 20:16:31 GMT 2025
PRIMARY
CHEBI
136921
Created by admin on Mon Mar 31 20:16:31 GMT 2025 , Edited by admin on Mon Mar 31 20:16:31 GMT 2025
PRIMARY