HuagongsheHuagongshe Chemistry Print Report · For research reference only
p-(1-(p-Tolylthio)butyl)anisole
1-Methoxy-4-[1-[(4-methylphenyl)thio]butyl]benzene · 1-[[1-(4-Methoxyphenyl)butyl]thio]-4-methylbenzene · Benzene, 1-methoxy-4-[1-[(4-methylphenyl)thio]butyl]-
Identifiers & Physical Properties
| CAS No. | 60702-15-0 |
|---|---|
| Molecular formula | C18H22OS |
| Average molar mass | 286.4 g/mol |
| Monoisotopic mass | 286.13913649 g/mol |
| SMILES | CCCC(Sc1ccc(C)cc1)c1ccc(OC)cc1 |
| InChIKey | FKFCNLPRAKEYDJ-UHFFFAOYSA-N |
| PubChem CID | 3045430 |
| DTXSID | DTXSID50976140 |
Chemical & Physical Properties
| XLogP | 5.5 |
|---|---|
| Topological polar surface area | 34.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 6 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 252 |