HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(2,3-Dimethylphenyl)-2,3-dihydroquinazoline-4(1H)-thione
Identifiers & Physical Properties
| CAS No. | 90070-92-1 |
|---|---|
| Molecular formula | C16H16N2S |
| Average molar mass | 268.4 g/mol |
| Monoisotopic mass | 268.10341969 g/mol |
| SMILES | Cc1cccc(N2CNC(=S)c3ccccc32)c1C |
| InChIKey | SYGDIZQZDUEKSS-UHFFFAOYSA-N |
| PubChem CID | 13402157 |
| DTXSID | DTXSID20539620 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 47.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 344 |