Base information
| Cat. No. | |
| CAS No. | 656-53-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.243 |
| Exact Mass | 185.051 |
| XLogP3 | 1.5571 |
| Mr | 47.752 |
| PSA | 67.43 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CC(=O)OCCc1scnc1C |
