HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Pentanone, 1,5-bis(butylthio)-1,5-diphenyl-
Identifiers & Physical Properties
| CAS No. | 145386-30-7 |
|---|---|
| Molecular formula | C25H34OS2 |
| Average molar mass | 414.7 g/mol |
| Monoisotopic mass | 414.20510805 g/mol |
| SMILES | CCCCSC(CC(=O)CC(SCCCC)c1ccccc1)c1ccccc1 |
| InChIKey | WPXWGCFLQLUJPC-UHFFFAOYSA-N |
| PubChem CID | 11618521 |
| DTXSID | DTXSID10469548 |
Chemical & Physical Properties
| XLogP | 6.7 |
|---|---|
| Topological polar surface area | 67.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 14 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 363 |