Base information
| Cat. No. | |
| CAS No. | 100283-52-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H7N3O2S |
| Molecular Weight | 257.268 |
| Exact Mass | 257.026 |
| XLogP3 | 2.4515 |
| Mr | 67.6053 |
| PSA | 104.21 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 27 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1nccnc1c1nc2c(s1)cccc2 |
