HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,2-Di(ethanesulfonyl)-1-(phenylsulfanyl)ethen-1-ol
Identifiers & Physical Properties
| CAS No. | 90127-82-5 |
|---|---|
| Molecular formula | C12H16O5S3 |
| Average molar mass | 336.5 g/mol |
| Monoisotopic mass | 336.01598713 g/mol |
| SMILES | CCS(=O)(=O)C(=C(O)Sc1ccccc1)S(=O)(=O)CC |
| InChIKey | OEUMLUISBYTLES-UHFFFAOYSA-N |
| PubChem CID | 13205379 |
| DTXSID | DTXSID70527552 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 131 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 6 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 507 |