Base information
| Cat. No. | |
| CAS No. | 100987-89-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H13N3S |
| Molecular Weight | 219.306 |
| Exact Mass | 219.083 |
| XLogP3 | 3.4919 |
| Mr | 64.3294 |
| PSA | 80.04 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(c1ccc(cc1)c1nnc(s1)N)C |
