Melting point: |
225-230°C (dec.) |
Density |
1.742±0.06 g/cm3(Predicted) |
storage temp. |
Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
solubility |
DMSO: >5mg/mL (warmed) |
pka |
pKa2 4.7(at 25℃) |
form |
powder |
color |
faint yellow to dark yellow |
Merck |
14,5582 |
InChI |
InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19) |
InChIKey |
WLHQHAUOOXYABV-UHFFFAOYSA-N |
SMILES |
S1(=O)(=O)C2C=C(Cl)SC=2C(O)=C(C(NC2=NC=CC=C2)=O)N1C |
CAS DataBase Reference |
70374-39-9(CAS DataBase Reference) |