HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(7-Chloro-2,8-dimethylquinolin-4-yl)sulfanyl-1,3-benzothiazole
4-(1,3-benzothiazol-2-ylsulfanyl)-7-chloro-2,8-dimethylquinoline
Identifiers & Physical Properties
| CAS No. | 353286-73-4 |
|---|---|
| Molecular formula | C18H13ClN2S2 |
| Average molar mass | 356.9 g/mol |
| SMILES | Cc1cc(Sc2nc3ccccc3s2)c2ccc(Cl)c(C)c2n1 |
| InChIKey | QMTKADBVSRDGES-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 6.4 |
|---|---|
| Topological polar surface area | 79.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 424 |