3-(Methylthio)-2-butanone (CHEBI:173460)

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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	3-(Methylthio)-2-butanone

ChEBI ID	CHEBI:173460

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C5H10OS

Net Charge

Average Mass

118.190

Monoisotopic Mass

118.04524

InChI

InChI=1S/C5H10OS/c1-4(6)5(2)7-3/h5H,1-3H3

InChIKey

HFVLNCDRAMUMCC-UHFFFAOYSA-N

SMILES

S(C(C)C(=O)C)C

ChEBI Ontology
Outgoing	3-(Methylthio)-2-butanone (CHEBI:173460) is a ketone (CHEBI:17087)

IUPAC Name

3-methylsulanylbutan-2-one

Registry Number	Type	Source
53475-15-3	CAS Registry Number	ChemIDplus