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86-12-4

86-12-4 structural image
Product Name: thenalidine
Formula: C17H22N2S
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 159 °C at 2.00E-02 mm Hg
Melting Point 96 °C
Kovats Retention Index 2252 2260 2270 2232.1

COMPUTED DESCRIPTORS

Molecular Weight 286.4 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 286.15036988 g/mol
Monoisotopic Mass 286.15036988 g/mol
Topological Polar Surface Area 34.7 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 283
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

Thenalidine is a dialkylarylamine and a tertiary amino compound.