HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,2,3,4-Tetrakis(trifluoromethyl)-5-thiabicyclo[2.1.0]pent-2-ene
1,2,3,4-Tetrakis(trifluoromethyl)-5-thiabicyclo[2.1.0]pent-2-ene · 5-Thiabicyclo[2.1.0]pent-2-ene, 1,2,3,4-tetrakis(trifluoromethyl)-
![1,2,3,4-Tetrakis(trifluoromethyl)-5-thiabicyclo[2.1.0]pent-2-ene molecular structure](/img/chemical/550607.png)
Identifiers & Physical Properties
| CAS No. | 39091-73-1 |
|---|---|
| Molecular formula | C8F12S |
| Average molar mass | 356.13 g/mol |
| Monoisotopic mass | 355.9529091 g/mol |
| SMILES | FC(F)(F)C1=C(C(F)(F)F)C2(C(F)(F)F)SC12C(F)(F)F |
| InChIKey | KJBUGUZZNRVQCZ-UHFFFAOYSA-N |
| PubChem CID | 550607 |
| DTXSID | DTXSID20338670 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 25.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 13 |
| Rotatable bonds | 0 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 469 |
| Boiling point | 92.6±40.0 °C(Predicted) |
| Density | 1.975±0.06 g/cm3(Predicted) |