HuagongsheHuagongshe Chemistry Print Report · For research reference only
9-(2H-1,3-Benzodithiol-2-ylidene)-9H-xanthene
Identifiers & Physical Properties
| CAS No. | 65429-82-5 |
|---|---|
| Molecular formula | C20H12OS2 |
| Average molar mass | 332.4 g/mol |
| Monoisotopic mass | 332.03295735 g/mol |
| SMILES | c1ccc2c(c1)Oc1ccccc1C2=C1Sc2ccccc2S1 |
| InChIKey | WJJBRTZCRSWBPI-UHFFFAOYSA-N |
| PubChem CID | 12377069 |
| DTXSID | DTXSID50495164 |
Chemical & Physical Properties
| XLogP | 5.6 |
|---|---|
| Topological polar surface area | 59.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 448 |