HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Cyclohexylsulfanyl-2-methyl-propionic acid ethyl ester
Identifiers & Physical Properties
| Molecular formula | C12H22O2S |
|---|---|
| Average molar mass | 230.37 g/mol |
| Monoisotopic mass | 230.13405111 g/mol |
| SMILES | CCOC(=O)C(C)(C)SC1CCCCC1 |
| InChIKey | ZLKXUZZQIIMOTJ-UHFFFAOYSA-N |
| PubChem CID | 21397848 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 51.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 208 |