CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless to pale yellow liquid with sulfury odour |
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Solubility | very slightly soluble in water; soluble in alcohols and oils |
Density | 0.880-0.887 |
Refractive Index | 1.462-1.468 |
COMPUTED DESCRIPTORS
Molecular Weight | 162.25 g/mol |
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XLogP3 | 1.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 5 |
Exact Mass | 162.07145086 g/mol |
Monoisotopic Mass | 162.07145086 g/mol |
Topological Polar Surface Area | 51.6 Ų |
Heavy Atom Count | 10 |
Formal Charge | 0 |
Complexity | 104 |
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 |
PRODUCT INTRODUCTION
description
Ethyl 3-(methylthio)butanoate is a fatty acid ester.