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CHEBI:16017 - benzyl thiocyanate

ChEBI IDCHEBI:16017
ChEBI Namebenzyl thiocyanate
Stars
Secondary ChEBI IDsCHEBI:3055, CHEBI:13890, CHEBI:22747
Last Modified13 November 2017
DownloadsMolfile
FormulaC8H7NS
Net Charge0
Average Mass149.218
Monoisotopic Mass149.02992
SMILESN#CSCc1ccccc1
InChIInChI=1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKeyABNDFSOIUFLJAH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
benzyl thiocyanate (CHEBI:16017) is a thiocyanates (CHEBI:26955)
IUPAC Name 
benzyl thiocyanate
Synonyms  Source
Benzyl thiocyanateKEGG COMPOUND
α-ThiocyanatotolueneNIST Chemistry WebBook
Thiocyanic acid benzyl esterNIST Chemistry WebBook
Solvat 14ChemIDplus
TropeolinChemIDplus
Thiocyanic acid, phenylmethyl esterNIST Chemistry WebBook
UniProt Name  Source
benzyl thiocyanateUniProt
Manual XrefsDatabases
C02660KEGG COMPOUND
Registry NumbersSources
Beilstein:1859726Beilstein
CAS:3012-37-1KEGG COMPOUND
CAS:3012-37-1NIST Chemistry WebBook
CAS:3012-37-1ChemIDplus