Base information
| Cat. No. | |
| CAS No. | 1022979-99-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14O3S |
| Molecular Weight | 238.303 |
| Exact Mass | 238.066 |
| XLogP3 | 2.5347 |
| Mr | 63.551 |
| PSA | 71.83 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C[C@@H]1CSc2c1ccc(c2)O |
