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92-85-3

92-85-3 structural image
Product Name: Thianthrene
Formula: C12H8S2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Beige crystalline solid; [Sigma-Aldrich MSDS]
Vapor Pressure 0.000031 [mmHg]
Kovats Retention Index 1901 1909 1883 1901 1901 328.58
Chemical Classes Other Classes -> Sulfur Compounds

COMPUTED DESCRIPTORS

Molecular Weight 216.3 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 216.00674260 g/mol
Monoisotopic Mass 216.00674260 g/mol
Topological Polar Surface Area 50.6 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 163
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

Thianthrene is the organosulfur heterocyclic compound that is the parent compound of the thianthrenes, a tricyclic structure comprising two benzene rings fused to the b and e sides of 1,4-dithin. It is a mancude organic heterotricyclic parent, an organosulfur heterocyclic compound and a member of thianthrenes.