HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Bromo-s-triazolo(3,4-b)benzothiazole
Identifiers & Physical Properties
| Molecular formula | C8H4BrN3S |
|---|---|
| Average molar mass | 254.11 g/mol |
| Monoisotopic mass | 252.93093 g/mol |
| SMILES | Brc1nnc2sc3ccccc3n12 |
| InChIKey | DRSGVSZQVTWKEB-UHFFFAOYSA-N |
| PubChem CID | 21392831 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 58.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 216 |