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CHEBI:131456 - S-(4,5-dihydro-2-methyl-3-furanyl) ethanethioate

ChEBI IDCHEBI:131456
ChEBI NameS-(4,5-dihydro-2-methyl-3-furanyl) ethanethioate
Stars
ASCII NameS-(4,5-dihydro-2-methyl-3-furanyl) ethanethioate
DefinitionA member of the class of dihydrofurans that is 4,5-dihydrofuran substituted at positions 2 and 3 by methyl and thioacetoxy groups respectively.
Last Modified7 March 2016
SubmitterSteve
DownloadsMolfile
FormulaC7H10O2S
Net Charge0
Average Mass158.222
Monoisotopic Mass158.04015
SMILESCC(=O)SC1=C(C)OCC1
InChIInChI=1S/C7H10O2S/c1-5-7(3-4-9-5)10-6(2)8/h3-4H2,1-2H3
InChIKeyYDYAMYYOQBGPRX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25502724)
- MetaboLights (MTBLS93)
Roles Classification
Biological Role:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
S-(4,5-dihydro-2-methyl-3-furanyl) ethanethioate (CHEBI:131456) has role flavouring agent (CHEBI:35617)
S-(4,5-dihydro-2-methyl-3-furanyl) ethanethioate (CHEBI:131456) is a dihydrofuran (CHEBI:51659)
S-(4,5-dihydro-2-methyl-3-furanyl) ethanethioate (CHEBI:131456) is a thioacetate ester (CHEBI:52477)
IUPAC Name 
S-(2-methyl-4,5-dihydrofuran-3-yl) ethanethioate
Synonyms  Source
2-Methyl-3-thioacetoxy-4,5-dihydrofuranHMDB
2-Methyl-4,5-dihydro-3-furanthiol acetateHMDB
S-(4,5-Dihydro-2-methyl-3-furyl) thioacetateHMDB
Ethanethioic acid, S-(4,5-dihydro-2-methyl-3-furanyl) esterHMDB
2-Methyl-3-(thioacetoxy)-4,5-dihydrofuranHMDB
4,5-Dihydro-2-methyl-3-furanthiyl acetateHMDB
Manual XrefsDatabases
HMDB0037786HMDB
Registry NumbersSources
CAS:26486-14-6ChemIDplus