CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; mp = 24-26 deg C; [Alfa Aesar MSDS] |
|---|---|
| Kovats Retention Index | 2295 2281 2285 2295 |
| Chemical Classes | Other Classes -> Sulfur Compounds |
COMPUTED DESCRIPTORS
| Molecular Weight | 314.6 g/mol |
|---|---|
| XLogP3 | 9.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 18 |
| Exact Mass | 314.30072251 g/mol |
| Monoisotopic Mass | 314.30072251 g/mol |
| Topological Polar Surface Area | 25.3 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 149 |
| 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 |