CHEBI:173353 - 4-(Methylthio)-2-pentanone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-(Methylthio)-2-pentanone
ChEBI ID CHEBI:173353
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C6H12OS
Net Charge 0
Average Mass 132.220
Monoisotopic Mass 132.06089
InChI InChI=1S/C6H12OS/c1-5(7)4-6(2)8-3/h6H,4H2,1-3H3
InChIKey PNJBGQMNUMZADU-UHFFFAOYSA-N
SMILES S(C(CC(=O)C)C)C
ChEBI Ontology
Outgoing 4-(Methylthio)-2-pentanone (CHEBI:173353) is a ketone (CHEBI:17087)
IUPAC Name
4-methylsulanylpentan-2-one
Manual Xrefs Databases
4934316 ChemSpider
HMDB0032430 HMDB
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Registry Number Type Source
143764-28-7 CAS Registry Number ChemIDplus