HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Phenylsulfanylquinazoline
4-phenylsulfanylquinazoline · Quinazoline, 4-(phenylthio)-
Identifiers & Physical Properties
| CAS No. | 6344-76-9 |
|---|---|
| Molecular formula | C14H10N2S |
| Average molar mass | 238.31 g/mol |
| Monoisotopic mass | 238.0564695 g/mol |
| SMILES | c1ccc(Sc2ncnc3ccccc23)cc1 |
| InChIKey | BBMSQSLFLZTVRX-UHFFFAOYSA-N |
| PubChem CID | 242571 |
| ChEMBL | CHEMBL1400437 |
| DTXSID | DTXSID40287494 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 51.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 240 |