Base information
| Cat. No. | |
| CAS No. | 42116-76-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12N4O3S |
| Molecular Weight | 244.271 |
| Exact Mass | 244.063 |
| XLogP3 | 1.5347 |
| Mr | 63.3757 |
| PSA | 116.99 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 28 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COC(=S)NCCn1c(C)ncc1[N+](=O)[O-] |
