Base information
| Cat. No. | |
| CAS No. | 6398-74-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8O3S |
| Molecular Weight | 196.223 |
| Exact Mass | 196.019 |
| XLogP3 | 1.6446 |
| Mr | 50.8063 |
| PSA | 79.67 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | O=C(c1ccccc1)SCC(=O)O |
