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54957-02-7

54957-02-7 structural image
Product Name: 3-((2-Mercapto-1-methylpropyl)thio)-2-butanol
Formula: C8H18OS2
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 85.00 to 88.00 °C. @ 0.40 mm Hg
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
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.