Base information
| Cat. No. | |
| CAS No. | 111031-74-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H22O3S |
| Molecular Weight | 270.388 |
| Exact Mass | 270.129 |
| XLogP3 | 3.2884 |
| Mr | 76.3868 |
| PSA | 79.67 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 40 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCSC(CC1CC(=C(C(=O)C1)C(=O)CC)O)C |
