Base information
| Cat. No. | |
| CAS No. | 21076-11-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11N3S |
| Molecular Weight | 181.258 |
| Exact Mass | 181.067 |
| XLogP3 | 1.9622 |
| Mr | 53.9491 |
| PSA | 73.38 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | NNC(=S)N(c1ccccc1)C |
