Base information
| Cat. No. | |
| CAS No. | 87242-92-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H22O3S |
| Molecular Weight | 294.409 |
| Exact Mass | 294.129 |
| XLogP3 | 4.106 |
| Mr | 83.6428 |
| PSA | 71.83 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 43 |
| Ring number | 2 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)CSC1(CCCCC1)CC(=O)O |
