HuagongsheHuagongshe Chemistry Print Report · For research reference only
{2,6-Dimethyl-4-[3-(methylthio)propoxy]phenyl}boronic acid
![{2,6-Dimethyl-4-[3-(methylthio)propoxy]phenyl}boronic acid molecular structure](/img/chemical/59342549.png)
Identifiers & Physical Properties
| Molecular formula | C12H19BO3S |
|---|---|
| Average molar mass | 254.16 g/mol |
| SMILES | CSCCCOc1cc(C)c(B(O)O)c(C)c1 |
| InChIKey | GPXCEIPTTBMETI-UHFFFAOYSA-N |
| PubChem CID | 59342549 |
Chemical & Physical Properties
| Topological polar surface area | 75 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 6 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 204 |