4-(Methylthio)-2-butanone

CAS	34047-39-7
Structure
Synonyms	5-Thiahexane-2-one
IUPAC Name	4-Methylsulfanylbutan-2-one
Molecular Weight	118.2
Canonical SMILES	CC(=O)CCSC
InChI	InChI=1S/C5H10OS/c1-5(6)3-4-7-2/h3-4H2,1-2H3
InChI Key	DRGHCRKOWMAZAO-UHFFFAOYSA-N
Boiling Point	105-107 °C
Flash Point	162 °F
Purity	95%+
Density	1.003 g/mL at 25 °C(lit.)
Solubility	Insoluble in water
Exact Mass	118.04523611
Monoisotopic Mass	118.04523611
Odor	Sweet, sulfurous, fruity odor
Refractive Index	n20/D 1.473(lit.)
Topological Polar Surface Area	42.4 Ų