Base information
| Cat. No. | |
| CAS No. | 85006-31-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9NO2S |
| Molecular Weight | 171.217 |
| Exact Mass | 171.035 |
| XLogP3 | 2.0065 |
| Mr | 44.9689 |
| PSA | 80.56 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1scc(c1N)C |
