CHEMICAL AND PHYSICAL PROPERTIES
Boiling Point | 85.00 to 88.00 °C. @ 0.40 mm Hg |
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Solubility | insoluble in water; soluble in alcohol; slightly soluble in fat |
Density | 1.040-1.050 |
Refractive Index | 1.512-1.522 |
COMPUTED DESCRIPTORS
Molecular Weight | 194.4 g/mol |
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XLogP3 | 2.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 4 |
Exact Mass | 194.07990754 g/mol |
Monoisotopic Mass | 194.07990754 g/mol |
Topological Polar Surface Area | 46.5 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 108 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 4 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol is a secondary alcohol.