| Melting point |
>200℃ (DEC.) |
| Boiling point |
564.6±60.0 °C(Predicted) |
| Density |
2.05 |
| refractive index |
1.7400 (estimate) |
| storage temp. |
Amber Vial, -20°C Freezer, Under inert atmosphere |
| solubility |
DMSO (Slightly), Methanol (Slightly, Heated) |
| pka |
6.66±0.20(Predicted) |
| color |
Yellow |
| Stability |
Light Sensitive |
| Major Application |
pharmaceutical (small molecule) |
| InChI |
1S/C9H8N8O2S/c1-16-3-13-6(17(18)19)8(16)20-7-4-5(12-2-11-4)14-9(10)15-7/h2-3H,1H3,(H3,10,11,12,14,15) |
| InChIKey |
YFTWHEBLORWGNI-UHFFFAOYSA-N |
| SMILES |
S(c3[n](cnc3[N+](=O)[O-])C)c1nc(nc2[nH]cnc21)N |
| CAS DataBase Reference |
5581-52-2 |
