HuagongsheHuagongshe Chemistry Print Report · For research reference only
5,6-dimethoxybenzo[d]thiazol-2(3H)-one
![5,6-dimethoxybenzo[d]thiazol-2(3H)-one molecular structure](/img/chemical/20522285.png)
Identifiers & Physical Properties
| Molecular formula | C9H9NO3S |
|---|---|
| Average molar mass | 211.24 g/mol |
| Monoisotopic mass | 211.03031432 g/mol |
| SMILES | COc1cc2[nH]c(=O)sc2cc1OC |
| InChIKey | VRUMJOKNGWXXFO-UHFFFAOYSA-N |
| PubChem CID | 20522285 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 72.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 236 |