| Melting point |
>185°C (dec.) |
| Boiling point |
518.2±60.0 °C(Predicted) |
| Density |
1.612±0.06 g/cm3(Predicted) |
| storage temp. |
Hygroscopic, -20°C Freezer, Under inert atmosphere |
| solubility |
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pka |
4.75±0.50(Predicted) |
| form |
Solid |
| color |
Pale Yellow |
| InChI |
InChI=1S/C13H14BrClN4O2S/c1-2-7-18-22(20,21)19-13-11(12(15)16-8-17-13)9-3-5-10(14)6-4-9/h3-6,8,18H,2,7H2,1H3,(H,16,17,19) |
| InChIKey |
MUPKRWAGQKVNPA-UHFFFAOYSA-N |
| SMILES |
S(NC1C(C2=CC=C(Br)C=C2)=C(Cl)N=CN=1)(NCCC)(=O)=O |