HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-(3-Picolinyloxy)-2-cyanobenzothiazole
Identifiers & Physical Properties
| Molecular formula | C14H9N3OS |
|---|---|
| Average molar mass | 267.31 g/mol |
| SMILES | N#Cc1nc2ccc(OCc3cccnc3)cc2s1 |
| InChIKey | XWVITTMTVXMICK-UHFFFAOYSA-N |
| PubChem CID | 58427770 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 87 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 356 |