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CHEBI:179058 - 1-Isothiocyanato-4-phenylbutane

ChEBI IDCHEBI:179058
ChEBI Name1-Isothiocyanato-4-phenylbutane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H13NS
Net Charge0
Average Mass191.299
Monoisotopic Mass191.07687
SMILESS=C=NCCCCc1ccccc1
InChIInChI=1S/C11H13NS/c13-10-12-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2
InChIKeyCCBQOLFAKKAMLD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-Isothiocyanato-4-phenylbutane (CHEBI:179058) is a benzenes (CHEBI:22712)
1-Isothiocyanato-4-phenylbutane (CHEBI:179058) is a organic amino compound (CHEBI:50047)
IUPAC Name 
4-isothiocyanatobutylbenzene
Manual XrefsDatabases
HMDB0038443HMDB
111185ChemSpider
Registry NumbersSources
CAS:61499-10-3ChemIDplus