Base information
| Cat. No. | |
| CAS No. | 131829-50-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9NO2S |
| Molecular Weight | 171.217 |
| Exact Mass | 171.035 |
| XLogP3 | 1.9229 |
| Mr | 43.3782 |
| PSA | 91.56 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C[C@@H](c1cccs1)N |
