HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-[2-[2-Phenylethoxy]ethylthio]propanoic acid
![3-[2-[2-Phenylethoxy]ethylthio]propanoic acid molecular structure](/img/chemical/19082263.png)
Identifiers & Physical Properties
| Molecular formula | C13H18O3S |
|---|---|
| Average molar mass | 254.35 g/mol |
| SMILES | O=C(O)CCSCCOCCc1ccccc1 |
| InChIKey | WZCGUOXZUQJVJD-UHFFFAOYSA-N |
| PubChem CID | 19082263 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 71.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 9 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 203 |