CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless liquid with a stench; [Sigma-Aldrich MSDS] |
|---|---|
| Chemical Classes | Other Classes -> Thiols |
COMPUTED DESCRIPTORS
| Molecular Weight | 244.5 g/mol |
|---|---|
| XLogP3 | 7.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 13 |
| Exact Mass | 244.22247219 g/mol |
| Monoisotopic Mass | 244.22247219 g/mol |
| Topological Polar Surface Area | 1 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 112 |
| 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 |