CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid; mp = 24-26 deg C; [Alfa Aesar MSDS] |
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Kovats Retention Index | 2295 2281 2285 2295 |
Chemical Classes | Other Classes -> Sulfur Compounds |
COMPUTED DESCRIPTORS
Molecular Weight | 314.6 g/mol |
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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 |