CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | colourless to pale yellow liquid |
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Boiling Point | 110.00 to 112.00 °C. @ 20.00 mm Hg |
Solubility | soluble in oil and alcohol |
Density | 0.832-0.837 |
Refractive Index | 1.472-1.478 |
Kovats Retention Index | 1355 |
COMPUTED DESCRIPTORS
Molecular Weight | 146.25 g/mol |
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XLogP3 | 2.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 4 |
Exact Mass | 146.07653624 g/mol |
Monoisotopic Mass | 146.07653624 g/mol |
Topological Polar Surface Area | 42.4 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 88.9 |
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 |
PRODUCT INTRODUCTION
description
S-Methyl 4-methylpentanethioate is a thioester.