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CHEBI:173819 - 1-Isothiocyanato-3-phenylpropane

ChEBI IDCHEBI:173819
ChEBI Name1-Isothiocyanato-3-phenylpropane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H11NS
Net Charge0
Average Mass177.272
Monoisotopic Mass177.06122
SMILESS=C=NCCCc1ccccc1
InChIInChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChIKeyGRUOGLPIAPZLHJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-Isothiocyanato-3-phenylpropane (CHEBI:173819) is a benzenes (CHEBI:22712)
IUPAC Name 
3-isothiocyanatopropylbenzene
Manual XrefsDatabases
HMDB0038444HMDB
68324ChemSpider
Registry NumbersSources
CAS:2627-27-2ChemIDplus