4-Mercapto-4-methyl-2-pentanone

CAS	19872-52-7
Structure
IUPAC Name	4-Methyl-4-sulfanylpentan-2-one
Molecular Weight	132.23
Canonical SMILES	CC(=O)CC(C)(C)S
InChI	InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChI Key	QRNZMFDCKKEPSX-UHFFFAOYSA-N
Boiling Point	174 °C
Flash Point	54 °C
Purity	98%+
Density	0.961 g/mL at 25 °C(lit.)
Solubility	Soluble in water
Exact Mass	132.06088618
Monoisotopic Mass	132.06088618
Physical State	Liquid
Refractive Index	n20/D 1.4620(lit.)
Storage Conditions	Inert atmosphere,Room Temperature
Topological Polar Surface Area	18.1 Ų