Base information
| Cat. No. | |
| CAS No. | 27430-18-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6N2O3S |
| Molecular Weight | 222.221 |
| Exact Mass | 222.01 |
| XLogP3 | 0.8515 |
| Mr | 62.7304 |
| PSA | 103.43 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | S=C1NC(=O)C(=Cc2ccco2)C(=O)N1 |
