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

ChEBI IDCHEBI:61550
ChEBI Name5,5-dimethyl-3-(1-thiocyanatoethyl)dihydro-2(3H)-furanone
Stars
ASCII Name5,5-dimethyl-3-(1-thiocyanatoethyl)dihydro-2(3H)-furanone
DefinitionA butan-4-olide having a 1-thiocyanatoethyl group at the 3-position and two methyl substituents at the 5-position.
Last Modified14 March 2011
Submitterzjosephs
DownloadsMolfile
FormulaC9H13NO2S
Net Charge0
Average Mass199.275
Monoisotopic Mass199.06670
SMILESCC(SC#N)C1CC(C)(C)OC1=O
InChIInChI=1S/C9H13NO2S/c1-6(13-5-10)7-4-9(2,3)12-8(7)11/h6-7H,4H2,1-3H3
InChIKeyVLQQCKVDIVJXFO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
5,5-dimethyl-3-(1-thiocyanatoethyl)butyrolactoneChEBI
3-(1-thiocyanatoethyl)-5,5-dimethylbutyrolactoneChEBI
Citations