HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Bromo-2-hexylthiophene
4-BROMO-2-HEXYLTHIOPHENE · Thiophene, 4-bromo-2-hexyl-
Identifiers & Physical Properties
| CAS No. | 155954-63-5 |
|---|---|
| Molecular formula | C10H15BrS |
| Average molar mass | 247.2 g/mol |
| Monoisotopic mass | 246.00778358 g/mol |
| SMILES | CCCCCCc1cc(Br)cs1 |
| InChIKey | KBZSJFOSBGKXIY-UHFFFAOYSA-N |
| PubChem CID | 19089912 |
| DTXSID | DTXSID70597972 |
Chemical & Physical Properties
| XLogP | 5.1 |
|---|---|
| Topological polar surface area | 28.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 5 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 116 |
| Boiling point | 276.1±20.0 °C(Predicted) |
| Density | 1.274±0.06 g/cm3(Predicted) |