Base information
| Cat. No. | |
| CAS No. | 5118-06-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.175 |
| Exact Mass | 158.004 |
| XLogP3 | 1.2403 |
| Mr | 37.6215 |
| PSA | 74.77 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1sccc1O |
