Base information
| Cat. No. | |
| CAS No. | 67831-84-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5N3OS |
| Molecular Weight | 167.188 |
| Exact Mass | 167.015 |
| XLogP3 | 0.9138 |
| Mr | 44.1041 |
| PSA | 96.53 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | S=c1[nH]c(=O)c2c([nH]1)[nH]cc2 |
