Base information
| Cat. No. | |
| CAS No. | 86251-28-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9NO2S |
| Molecular Weight | 171.217 |
| Exact Mass | 171.035 |
| XLogP3 | 1.6984 |
| Mr | 43.7864 |
| PSA | 81.53 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | NC(=O)CSCc1ccco1 |
