Base information
| Cat. No. | |
| CAS No. | 74470-40-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9NO2S |
| Molecular Weight | 183.228 |
| Exact Mass | 183.035 |
| XLogP3 | 1.5901 |
| Mr | 47.2375 |
| PSA | 64.49 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc(nc1)SC |
