CHEBI:27382 - 2-thienylacetonitrile

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ChEBI Name 2-thienylacetonitrile ChEBI ID CHEBI:27382 Definition A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-thienyl group. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:9541, CHEBI:26950 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H5NS Net Charge 0 Average Mass 123.17600 Monoisotopic Mass 123.01427 InChI InChI=1S/C6H5NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2 InChIKey CLSHQIDDCJTHAJ-UHFFFAOYSA-N SMILES N#CCc1cccs1 ChEBI Ontology Outgoing 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 Sources 2-(Cyanomethyl)thiophene NIST Chemistry WebBook 2-cyanomethylthiophene ChEBI 2-Thiopheneacetonitrile ChemIDplus thiophen-2-yl-acetonitrile ChEBI Thiophene-2-acetonitrile NIST Chemistry WebBook Manual Xref Database C03311 KEGG COMPOUND View more database links Registry Numbers Types Sources 106960 Reaxys Registry Number Reaxys 20893-30-5 CAS Registry Number ChemIDplus 20893-30-5 CAS Registry Number NIST Chemistry WebBook Last Modified 18 July 2011