Base information
| Cat. No. | |
| CAS No. | 648412-51-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6N2O2S |
| Molecular Weight | 182.2 |
| Exact Mass | 182.015 |
| XLogP3 | 1.56978 |
| Mr | 44.7179 |
| PSA | 104.35 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc(c(s1)C#N)N |
