EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:35455 - 1-naphthyl isothiocyanate

ChEBI IDCHEBI:35455
ChEBI Name1-naphthyl isothiocyanate
Stars
Last Modified3 May 2006
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H7NS
Net Charge0
Average Mass185.251
Monoisotopic Mass185.02992
SMILESS=C=Nc1cccc2ccccc12
InChIInChI=1S/C11H7NS/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H
InChIKeyJBDOSUUXMYMWQH-UHFFFAOYSA-N
Roles Classification
Application:
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
ChEBI Ontology
Outgoing Relation(s)
1-naphthyl isothiocyanate (CHEBI:35455) has parent hydride naphthalene (CHEBI:16482)
1-naphthyl isothiocyanate (CHEBI:35455) has role insecticide (CHEBI:24852)
1-naphthyl isothiocyanate (CHEBI:35455) is a isothiocyanate (CHEBI:52221)
IUPAC Name 
1-isothiocyanatonaphthalene
Synonyms  Source
1-NaphthylisothiocyanateChemIDplus
ANITChemIDplus
alpha-Naphthyl isothiocyanateChemIDplus
Registry NumbersSources
Beilstein:637868Beilstein
CAS:551-06-4ChemIDplus