HuagongsheHuagongshe Chemistry Print Report · For research reference only
4H-3,1-Benzothiazine-4-thione, 2-ethyl-
Identifiers & Physical Properties
| CAS No. | 67130-27-2 |
|---|---|
| Molecular formula | C10H9NS2 |
| Average molar mass | 207.3 g/mol |
| Monoisotopic mass | 207.01764164 g/mol |
| SMILES | CCc1nc2ccccc2c(=S)s1 |
| InChIKey | MFEWANFLNVTJGO-UHFFFAOYSA-N |
| PubChem CID | 12373539 |
| DTXSID | DTXSID00494965 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 69.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 247 |