HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Ethoxy-4-hydroxybenzothioamide
Identifiers & Physical Properties
| CAS No. | 60758-80-7 |
|---|---|
| Molecular formula | C9H11NO2S |
| Average molar mass | 197.26 g/mol |
| Monoisotopic mass | 197.05104977 g/mol |
| SMILES | CCOc1cc(C(N)=S)ccc1O |
| InChIKey | NDARQXGMKUEJQC-UHFFFAOYSA-N |
| PubChem CID | 136161970 |
| DTXSID | DTXSID301278093 |
Chemical & Physical Properties
| XLogP | 1.7 |
|---|---|
| Topological polar surface area | 87.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 186 |