OntologieschebiclassesCHEBI:91152   
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8-(methylsulfinyl)octyl isothiocyanate
http://purl.obolibrary.org/obo/CHEBI_91152

A member of the class of isothiocyanates that is octyl isothiocyanate in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.

Also appears inslm
Exact Synonyms
1-isothiocyanato-8-(methylsulfinyl)octane
Related Synonyms
8-MeSO-octyl-NCS
8-methylsulfinyloctyl isothiocyanate
hirsutin
class Information
charge

0

formula

C10H19NOS2

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3

inchikey

BCRXKWOQVFKZAG-UHFFFAOYSA-N

in_subset

3_STAR

mass

233.397

monoisotopicmass

233.09081

smiles

C(CCCCS(C)=O)CCCN=C=S

class Relations