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NIH-12848 Structure

NIH-12848

Chemical Properties

Boiling point 441.6±45.0 °C(Predicted)
Density  1.384±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO: 25 mg/mL
form  A crystalline solid
pka 5.05±0.30(Predicted)
color  White to off-white
InChI 1S/C20H14F3N3S/c21-20(22,23)16-9-3-1-7-14(16)19-25-17-10-4-2-8-15(17)18(26-19)24-12-13-6-5-11-27-13/h1-11H,12H2,(H,24,25,26)
InChIKey QBDAEJRHUCSSPR-UHFFFAOYSA-N
SMILES FC(F)(F)c1c(cccc1)c2nc3c(c(n2)NCc4[s]ccc4)cccc3

Safety Information

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Usage And Synthesis

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