HuagongsheHuagongshe Chemistry Print Report · For research reference only
7-Chloro-2-(methylthio)benzo[d]thiazol-6-ol
![7-Chloro-2-(methylthio)benzo[d]thiazol-6-ol molecular structure](/img/chemical/57725521.png)
Identifiers & Physical Properties
| Molecular formula | C8H6ClNOS2 |
|---|---|
| Average molar mass | 231.7 g/mol |
| Monoisotopic mass | 230.9579339 g/mol |
| SMILES | CSc1nc2ccc(O)c(Cl)c2s1 |
| InChIKey | JBNQSQRXIQLHRA-UHFFFAOYSA-N |
| PubChem CID | 57725521 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 86.7 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 195 |