Base information
| Cat. No. | |
| CAS No. | 88768-45-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N2O2S |
| Molecular Weight | 170.189 |
| Exact Mass | 170.015 |
| XLogP3 | 0.6533 |
| Mr | 40.3318 |
| PSA | 88.38 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CSc1ncccn1 |
