Melting point: |
200-204 °C |
alpha |
D22 -36° (c = 1.2 in DMF) |
Boiling point: |
587.6±60.0 °C(Predicted) |
Density |
1.4916 (rough estimate) |
refractive index |
1.5650 (estimate) |
storage temp. |
-20°C |
solubility |
DMF:30.0(Max Conc. mg/mL);107.02(Max Conc. mM) DMSO:35.33(Max Conc. mg/mL);126.05(Max Conc. mM) |
pka |
8.31±0.40(Predicted) |
form |
Powder |
color |
Off-white to light yellow |
λmax |
360nm(H2O)(lit.) |
Merck |
14,4086 |
BRN |
30484 |
InChI |
InChI=1S/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,16)/t7-/m1/s1 |
InChIKey |
BJGNCJDXODQBOB-SSDOTTSWSA-N |
SMILES |
S1C[C@H](C(O)=O)N=C1C1=NC2=CC=C(O)C=C2S1 |