HuagongsheHuagongshe Chemistry Print Report · For research reference only
Propanoic acid, 3-[[4-(methylthio)phenyl]thio]-
![Propanoic acid, 3-[[4-(methylthio)phenyl]thio]- molecular structure](/img/chemical/11368176.png)
Identifiers & Physical Properties
| CAS No. | 13735-02-9 |
|---|---|
| Molecular formula | C10H12O2S2 |
| Average molar mass | 228.3 g/mol |
| Monoisotopic mass | 228.02787197 g/mol |
| SMILES | CSc1ccc(SCCC(=O)O)cc1 |
| InChIKey | LROOBFDHMUVFBY-UHFFFAOYSA-N |
| PubChem CID | 11368176 |
| DTXSID | DTXSID80463755 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 87.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 177 |