HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(4-Methoxyphenyl)-2,3-dihydroquinazoline-4(1H)-thione
Identifiers & Physical Properties
| CAS No. | 90070-93-2 |
|---|---|
| Molecular formula | C15H14N2OS |
| Average molar mass | 270.4 g/mol |
| Monoisotopic mass | 270.08268425 g/mol |
| SMILES | COc1ccc(N2CNC(=S)c3ccccc32)cc1 |
| InChIKey | KUFJODLAOQOXTQ-UHFFFAOYSA-N |
| PubChem CID | 13402159 |
| DTXSID | DTXSID80539621 |
Chemical & Physical Properties
| XLogP | 3.3 |
|---|---|
| Topological polar surface area | 56.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 328 |