Base information
| Cat. No. | |
| CAS No. | 1289217-98-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7NO3S |
| Molecular Weight | 173.19 |
| Exact Mass | 173.015 |
| XLogP3 | 1.0254 |
| Mr | 40.2235 |
| PSA | 87.66 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1nc(cs1)O |
