Base information
| Cat. No. | |
| CAS No. | 68867-21-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5N3S |
| Molecular Weight | 175.21 |
| Exact Mass | 175.02 |
| XLogP3 | 2.29486 |
| Mr | 47.0314 |
| PSA | 98.9 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CSc1cc(C#N)ccc1N |
