Base information
| Cat. No. | |
| CAS No. | 101169-28-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16O3S |
| Molecular Weight | 288.361 |
| Exact Mass | 288.082 |
| XLogP3 | 3.6788 |
| Mr | 80.8625 |
| PSA | 60.83 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COc1cc(SCC(=O)c2ccccc2)ccc1OC |
