CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Beige crystalline solid; [Sigma-Aldrich MSDS] |
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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 |
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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.