Terminology Service for NFDI4Health
1-isothiocyanato-6-(methylsulfanyl)hexane
Go to external page
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A isothiocyanate that is hexane in which two of the terminal methyl hydrogens at positions 1 and 6 have been replaced by isothiocyanato and methylsulfanyl groups.
Term info
Label
1-isothiocyanato-6-(methylsulfanyl)hexane
Synonyms
- 1-isothiocyanato-6-(methylsulfanyl)hexane
Subsets
3_STAR
charge
0
formula
C8H15NS2
has obo namespace
chebi_ontology
has related synonym
6-(Methylthio)hexyl isothiocyanate, 6-Methylthiohexyl isothiocyanate, 1-Isothiocyanato-6-(methylthio)hexane, 6-isothiocyanatohexyl methyl sulfide, (6-Isothiocyanatohexyl)(methyl)sulfane, Lesquerellin
id
CHEBI:136921
inchi
InChI=1S/C8H15NS2/c1-11-7-5-3-2-4-6-9-8-10/h2-7H2,1H3
inchikey
YIBXPFAXPUDDTK-UHFFFAOYSA-N
mass
189.344
monoisotopicmass
189.06459
smiles
S(CCCCCCN=C=S)C