| Melting point |
109.0 to 115.0 °C |
| Boiling point |
425.4±45.0 °C(Predicted) |
| Density |
1.39±0.1 g/cm3(Predicted) |
| storage temp. |
Keep in dark place,Inert atmosphere,Room temperature |
| solubility |
Chloroform (Slightly), DMSO (Slightly) |
| pka |
-3.24±0.50(Predicted) |
| form |
solid |
| color |
Light yellow to Amber to Dark green |
| BRN |
7485862 |
| Major Application |
pharmaceutical small molecule |
| InChI |
InChI=1S/C12H9N3O2S/c1-8-6-9(7-13)12(18-8)14-10-4-2-3-5-11(10)15(16)17/h2-6,14H,1H3 |
| InChIKey |
NPXUFPFFHANGDL-UHFFFAOYSA-N |
| SMILES |
C1(NC2=CC=CC=C2[N+]([O-])=O)SC(C)=CC=1C#N |
| CAS DataBase Reference |
138564-59-7(CAS DataBase Reference) |