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.