HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Diphenylmethylidene)-2H-1,3-benzodithiole
Identifiers & Physical Properties
| CAS No. | 62217-32-7 |
|---|---|
| Molecular formula | C20H14S2 |
| Average molar mass | 318.5 g/mol |
| Monoisotopic mass | 318.05369279 g/mol |
| SMILES | c1ccc(C(=C2Sc3ccccc3S2)c2ccccc2)cc1 |
| InChIKey | UTPRRMPMHMDDCQ-UHFFFAOYSA-N |
| PubChem CID | 12377073 |
| DTXSID | DTXSID10495165 |
Chemical & Physical Properties
| XLogP | 6.7 |
|---|---|
| Topological polar surface area | 50.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 366 |