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CHEBI:59151 - 3-thiocyanatomethyl-5,5-dimethylbutyrolactone

ChEBI IDCHEBI:59151
ChEBI Name3-thiocyanatomethyl-5,5-dimethylbutyrolactone
Stars
DefinitionA butan-4-olide having a thiocyanatomethyl group at the 3-position and two methyl substituents at the 5-position.
Last Modified23 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC8H11NO2S
Net Charge0
Average Mass185.248
Monoisotopic Mass185.05105
SMILESCC1(C)CC(CSC#N)C(=O)O1
InChIInChI=1S/C8H11NO2S/c1-8(2)3-6(4-12-5-9)7(10)11-8/h6H,3-4H2,1-2H3
InChIKeyBRZWOCZJEJQMDT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-thiocyanatomethyl-5,5-dimethylbutyrolactone (CHEBI:59151) is a butan-4-olide (CHEBI:22950)
3-thiocyanatomethyl-5,5-dimethylbutyrolactone (CHEBI:59151) is a thiocyanates (CHEBI:26955)
IUPAC Name 
(5,5-dimethyl-2-oxooxolan-3-yl)methyl thiocyanate
Synonyms  Source
(5,5-dimethyl-2-oxotetrahydrofuran-3-yl)methyl thiocyanateIUPAC
5,5-dimethyl-3-(thiocyanatomethyl)dihydro-2(3H)-furanoneChEBI
Citations