HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,6-Lutidine 3,5-dichloro-4-dodecylthio-
Identifiers & Physical Properties
| CAS No. | 959295-46-6 |
|---|---|
| Molecular formula | C19H31Cl2NS |
| Average molar mass | 376.4 g/mol |
| Monoisotopic mass | 375.1554266 g/mol |
| SMILES | CCCCCCCCCCCCSc1c(Cl)c(C)nc(C)c1Cl |
| InChIKey | QGBWWLVFYIIBJI-UHFFFAOYSA-N |
| PubChem CID | 536613 |
| DTXSID | DTXSID501367268 |
Chemical & Physical Properties
| XLogP | 9 |
|---|---|
| Topological polar surface area | 38.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 12 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 277 |