| Melting point |
175-177C |
| Density |
1.48±0.1 g/cm3(Predicted) |
| storage temp. |
-20°C Freezer, Under Inert Atmosphere |
| solubility |
Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly, Sonicated) |
| pka |
9.68±0.20(Predicted) |
| form |
Solid |
| color |
White to Pale Yellow |
| InChI |
InChI=1S/C17H19ClN4O4S/c1-4-6-14-19-10(3)15-17(23)20-16(21-22(14)15)12-9-11(27(18,24)25)7-8-13(12)26-5-2/h7-9H,4-6H2,1-3H3,(H,20,21,23) |
| InChIKey |
ITOAVBRRRCBWLU-UHFFFAOYSA-N |
| SMILES |
C1(S(Cl)(=O)=O)=CC=C(OCC)C(C2=NC(=O)C3=C(C)N=C(CCC)N3N2)=C1 |