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33441-50-8

33441-50-8 structural image
Product Name: 2-MERCAPTO-2-METHYL-PROPANOIC ACID ETHYL ESTER
Formula: C6H12O2S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear to pale yellow liquid; Meaty fruity aroma upon dilution
Solubility Very sparingly soluble in water
Density 1.020-1.023
Refractive Index 1.424-1.464

COMPUTED DESCRIPTORS

Molecular Weight 148.23 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 148.05580079 g/mol
Monoisotopic Mass 148.05580079 g/mol
Topological Polar Surface Area 27.3 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 110
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes