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CHEBI:87506 - 2-methylthiolan-3-one

ChEBI IDCHEBI:87506
ChEBI Name2-methylthiolan-3-one
Stars
DefinitionA member of the class of tetrahydrothiophenes that is thiolane substituted by a methyl group at position 2 and an oxo group at position 3 respectively.
Last Modified17 August 2015
Submitternamrata
DownloadsMolfile
FormulaC5H8OS
Net Charge0
Average Mass116.185
Monoisotopic Mass116.02959
SMILESCC1SCCC1=O
InChIInChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
InChIKeyYMZZPMVKABUEBL-UHFFFAOYSA-N
Roles Classification
Biological Roles:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
2-methylthiolan-3-one (CHEBI:87506) has parent hydride tetrahydrothiophene (CHEBI:48458)
2-methylthiolan-3-one (CHEBI:87506) has role flavouring agent (CHEBI:35617)
2-methylthiolan-3-one (CHEBI:87506) has role metabolite (CHEBI:25212)
2-methylthiolan-3-one (CHEBI:87506) is a cyclic ketone (CHEBI:3992)
2-methylthiolan-3-one (CHEBI:87506) is a tetrahydrothiophenes (CHEBI:48224)
IUPAC Name 
2-methylthiolan-3-one
Synonym  Source
2-methyltetrahydrothiophen-3-oneChEBI
Manual XrefsDatabases
HMDB0038556HMDB
Registry NumbersSources
Reaxys:106443Reaxys
CAS:74015-70-6ChemIDplus
CAS:74015-70-6NIST Chemistry WebBook
Citations