Base information
| Cat. No. | |
| CAS No. | 3460-55-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7N3S |
| Molecular Weight | 177.226 |
| Exact Mass | 177.036 |
| XLogP3 | 1.98708 |
| Mr | 50.9611 |
| PSA | 93.93 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)NC(=S)N |
