Base information
| Cat. No. | |
| CAS No. | 72856-73-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10O3S |
| Molecular Weight | 198.239 |
| Exact Mass | 198.035 |
| XLogP3 | 2.1153 |
| Mr | 51.6143 |
| PSA | 71.83 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(SC)ccc1C(=O)O |
