HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(4-Chlorophenyl)-2,3-dihydroquinazoline-4(1H)-thione
Identifiers & Physical Properties
| CAS No. | 90070-95-4 |
|---|---|
| Molecular formula | C14H11ClN2S |
| Average molar mass | 274.8 g/mol |
| Monoisotopic mass | 274.0331472 g/mol |
| SMILES | S=C1NCN(c2ccc(Cl)cc2)c2ccccc21 |
| InChIKey | YJNJZAQEJRBWOJ-UHFFFAOYSA-N |
| PubChem CID | 13402160 |
| DTXSID | DTXSID40539622 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 47.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 315 |