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5287-45-6

5287-45-6 structural image
Product Name: 3-Methyl-2-buten-1-thiol
Formula: C5H10S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear colourless liquid
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
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.