HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Octylthiomethyl-3,5-dimethylpyridinium chloride
Identifiers & Physical Properties
| CAS No. | 70700-62-8 |
|---|---|
| Molecular formula | C16H28ClNS |
| Average molar mass | 301.9 g/mol |
| Monoisotopic mass | 301.1630988 g/mol |
| SMILES | CCCCCCCCSC[n+]1cc(C)cc(C)c1.[Cl-] |
| InChIKey | SZIHXKBVPMHTDX-UHFFFAOYSA-M |
| PubChem CID | 51139 |
| DTXSID | DTXSID40990956 |
Chemical & Physical Properties
| Topological polar surface area | 29.2 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 9 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 186 |