HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Cyclopentyl-2-(3,5-dimethoxy-phenyl)-[1,3]dithiolane
![2-Cyclopentyl-2-(3,5-dimethoxy-phenyl)-[1,3]dithiolane molecular structure](/img/chemical/11645261.png)
Identifiers & Physical Properties
| Molecular formula | C16H22O2S2 |
|---|---|
| Average molar mass | 310.5 g/mol |
| Monoisotopic mass | 310.10612229 g/mol |
| SMILES | COc1cc(OC)cc(C2(C3CCCC3)SCCS2)c1 |
| InChIKey | FEALXEAKSUZPRP-UHFFFAOYSA-N |
| PubChem CID | 11645261 |
Chemical & Physical Properties
| XLogP | 4.5 |
|---|---|
| Topological polar surface area | 69.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 300 |