Base information
| Cat. No. | |
| CAS No. | 106135-31-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5N3S |
| Molecular Weight | 175.21 |
| Exact Mass | 175.02 |
| XLogP3 | 2.09718 |
| Mr | 48.1984 |
| PSA | 87.46 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc2c(c1)[nH]c(=S)[nH]2 |
