EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:27382 - 2-thienylacetonitrile

ChEBI IDCHEBI:27382
ChEBI Name2-thienylacetonitrile
Stars
DefinitionA nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-thienyl group.
Secondary ChEBI IDsCHEBI:9541, CHEBI:26950
Last Modified18 July 2011
DownloadsMolfile
FormulaC6H5NS
Net Charge0
Average Mass123.180
Monoisotopic Mass123.01427
SMILESN#CCc1cccs1
InChIInChI=1S/C6H5NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2
InChIKeyCLSHQIDDCJTHAJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-thienylacetonitrile (CHEBI:27382) has functional parent acetonitrile (CHEBI:38472)
2-thienylacetonitrile (CHEBI:27382) is a nitrile (CHEBI:18379)
2-thienylacetonitrile (CHEBI:27382) is a thiophenes (CHEBI:26961)
IUPAC Name 
2-thienylacetonitrile
Synonyms  Source
2-ThiopheneacetonitrileChemIDplus
Thiophene-2-acetonitrileNIST Chemistry WebBook
2-cyanomethylthiopheneChEBI
thiophen-2-yl-acetonitrileChEBI
2-(Cyanomethyl)thiopheneNIST Chemistry WebBook
Manual XrefsDatabases
C03311KEGG COMPOUND
Registry NumbersSources
Reaxys:106960Reaxys
CAS:20893-30-5ChemIDplus
CAS:20893-30-5NIST Chemistry WebBook