1-(Methylthio)-2-butanone

Catalog	ACM13678585
CAS	13678-58-5
Synonyms	Methylthio butanone
IUPAC Name	1-Methylsulfanylbutan-2-one
Molecular Weight	118.2
Molecular Formula	C5H10OS
Canonical SMILES	CCC(=O)CSC
InChI	InChI=1S/C5H10OS/c1-3-5(6)4-7-2/h3-4H2,1-2H3
InChI Key	GOAGGJDTOMPTSA-UHFFFAOYSA-N
Boiling Point	52-53 °C
Purity	95%+
Density	0.9970 g/cm³
Exact Mass	118.04523611
Monoisotopic Mass	118.04523611
Physical State	Liquid
Refractive Index	n20/D 1.470-1.485(lit.)
Topological Polar Surface Area	42.4 Ų