Base information
| Cat. No. | |
| CAS No. | 778-28-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H16O3S |
| Molecular Weight | 228.308 |
| Exact Mass | 228.082 |
| XLogP3 | 3.5812 |
| Mr | 60.008 |
| PSA | 51.75 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCCCOS(=O)(=O)c1ccc(cc1)C |
