HuagongsheHuagongshe Chemistry Print Report · For research reference only
Rhodanine, 3-(3,4-diethoxyphenethyl)-5-methyl-
Identifiers & Physical Properties
| CAS No. | 23522-24-9 |
|---|---|
| Molecular formula | C16H21NO3S2 |
| Average molar mass | 339.5 g/mol |
| Monoisotopic mass | 339.09628588 g/mol |
| SMILES | CCOc1ccc(CCN2C(=O)C(C)SC2=S)cc1OCC |
| InChIKey | PBDMNLKYZPGPAT-UHFFFAOYSA-N |
| PubChem CID | 211713 |
| DTXSID | DTXSID70946264 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 96.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 7 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 405 |