Base information
| Cat. No. | |
| CAS No. | 89170-30-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13NO3S |
| Molecular Weight | 251.302 |
| Exact Mass | 251.062 |
| XLogP3 | 2.51008 |
| Mr | 65.076 |
| PSA | 84.62 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 30 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)COc1ccc(cc1C)SC#N |
