Base information
| Cat. No. | |
| CAS No. | 770-30-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N4S |
| Molecular Weight | 166.204 |
| Exact Mass | 166.031 |
| XLogP3 | 1.23358 |
| Mr | 42.8724 |
| PSA | 100.89 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CSc1ncc(c(n1)N)C#N |
