OntologieschebiclassesCHEBI:136921   
JSON document
1-isothiocyanato-6-(methylsulfanyl)hexane
http://purl.obolibrary.org/obo/CHEBI_136921

A isothiocyanate that is hexane in which two of the terminal methyl hydrogens at positions 1 and 6 have been replaced by isothiocyanato and methylsulfanyl groups.

Also appears inslm
Exact Synonyms
1-isothiocyanato-6-(methylsulfanyl)hexane
Related Synonyms
(6-Isothiocyanatohexyl)(methyl)sulfane
1-Isothiocyanato-6-(methylthio)hexane
6-(Methylthio)hexyl isothiocyanate
6-isothiocyanatohexyl methyl sulfide
6-Methylthiohexyl isothiocyanate
Lesquerellin
class Information
charge

0

formula

C8H15NS2

has_dbxref
has_obo_namespace

chebi_ontology

inchikey

YIBXPFAXPUDDTK-UHFFFAOYSA-N

inchi

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

in_subset

3_STAR

mass

189.344

monoisotopicmass

189.06459

smiles

S(CCCCCCN=C=S)C

class Relations