CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Clear colourless liquid |
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Boiling Point | 128.00 to 135.00 °C. @ 760.00 mm Hg |
Solubility | insoluble in water; soluble in ethanol, triacetin and heptane |
Density | 0.884-0.885 |
Refractive Index | 1.483-1.493 |
Kovats Retention Index | 804 807 807 808 808 807 807 810 810 804 |
COMPUTED DESCRIPTORS
Molecular Weight | 102.20 g/mol |
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XLogP3 | 2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 1 |
Exact Mass | 102.05032149 g/mol |
Monoisotopic Mass | 102.05032149 g/mol |
Topological Polar Surface Area | 1 Ų |
Heavy Atom Count | 6 |
Formal Charge | 0 |
Complexity | 51 |
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
3-Methyl-2-butene-1-thiol is an alkanethiol.