HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Iodo-2-mercaptobenzoic acid
Identifiers & Physical Properties
| Molecular formula | C7H5IO2S |
|---|---|
| Average molar mass | 280.08 g/mol |
| SMILES | O=C(O)c1cc(I)ccc1S |
| InChIKey | DSEOHZFMNDXZGY-UHFFFAOYSA-N |
| PubChem CID | 24773373 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 38.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 163 |