EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:173987 - 4-[(2-Furanylmethyl)thio]-2-pentanone

ChEBI IDCHEBI:173987
ChEBI Name4-[(2-Furanylmethyl)thio]-2-pentanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O2S
Net Charge0
Average Mass198.287
Monoisotopic Mass198.07145
SMILESCC(=O)CC(C)SCc1ccco1
InChIInChI=1S/C10H14O2S/c1-8(11)6-9(2)13-7-10-4-3-5-12-10/h3-5,9H,6-7H2,1-2H3
InChIKeyIUNKNKANRUMCNL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(2-Furanylmethyl)thio]-2-pentanone (CHEBI:173987) is a heteroarene (CHEBI:33833)
IUPAC Name 
4-(uran-2-ylmethylsulanyl)pentan-2-one
Manual XrefsDatabases
HMDB0036134HMDB
2291568ChemSpider
Registry NumbersSources
CAS:180031-78-1ChemIDplus