HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(p-Tolyl)-2,3-dihydroquinazoline-4(1H)-thione
Identifiers & Physical Properties
| CAS No. | 90070-90-9 |
|---|---|
| Molecular formula | C15H14N2S |
| Average molar mass | 254.4 g/mol |
| Monoisotopic mass | 254.08776963 g/mol |
| SMILES | Cc1ccc(N2CNC(=S)c3ccccc32)cc1 |
| InChIKey | SKYKIKZUELHHNO-UHFFFAOYSA-N |
| PubChem CID | 13402156 |
| DTXSID | DTXSID10539619 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 47.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 310 |