HuagongsheHuagongshe Chemistry Print Report · For research reference only
Thiocyanic acid, 5-chloropentyl ester
Identifiers & Physical Properties
| CAS No. | 64048-00-6 |
|---|---|
| Molecular formula | C6H10ClNS |
| Average molar mass | 163.67 g/mol |
| Monoisotopic mass | 163.0222482 g/mol |
| SMILES | N#CSCCCCCCl |
| InChIKey | LDMOQCCSGVYFGA-UHFFFAOYSA-N |
| PubChem CID | 116404 |
| DTXSID | DTXSID50214135 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 49.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 5 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 96.5 |