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42075-45-6

42075-45-6 structural image
Product Name: S-Methyl 2-methylthiobutyrate
Formula: C6H12OS
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless liquid
Solubility insoluble in water; soluble in fats and alcohols
Density 1.028-1.035
Refractive Index 1.456-1.462
Kovats Retention Index 1225

COMPUTED DESCRIPTORS

Molecular Weight 132.23 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 132.06088618 g/mol
Monoisotopic Mass 132.06088618 g/mol
Topological Polar Surface Area 42.4 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 80.6
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes