CHEBI:61550 - 5,5-dimethyl-3-(1-thiocyanatoethyl)dihydro-2(3H)-furanone

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ChEBI Name 5,5-dimethyl-3-(1-thiocyanatoethyl)dihydro-2(3H)-furanone ChEBI ID CHEBI:61550 ChEBI ASCII Name 5,5-dimethyl-3-(1-thiocyanatoethyl)dihydro-2(3H)-furanone Definition A butan-4-olide having a 1-thiocyanatoethyl group at the 3-position and two methyl substituents at the 5-position. Stars This entity has been manually annotated by the ChEBI Team. 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 C9H13NO2S Net Charge 0 Average Mass 199.27000 Monoisotopic Mass 199.06670 InChI InChI=1S/C9H13NO2S/c1-6(13-5-10)7-4-9(2,3)12-8(7)11/h6-7H,4H2,1-3H3 InChIKey VLQQCKVDIVJXFO-UHFFFAOYSA-N SMILES CC(SC#N)C1CC(C)(C)OC1=O ChEBI Ontology Outgoing 5,5-dimethyl-3-(1-thiocyanatoethyl)dihydro-2(3H)-furanone (CHEBI:61550) is a butan-4-olide (CHEBI:22950) 5,5-dimethyl-3-(1-thiocyanatoethyl)dihydro-2(3H)-furanone (CHEBI:61550) is a thiocyanates (CHEBI:26955) IUPAC Name 1-(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)ethyl thiocyanate Synonyms Sources 3-(1-thiocyanatoethyl)-5,5-dimethylbutyrolactone ChEBI 5,5-dimethyl-3-(1-thiocyanatoethyl)butyrolactone ChEBI Citation Type Source 8075360 PubMed citation Europe PMC Last Modified 14 March 2011