2083630-26-4

Name PS-432
CAS 2083630-26-4
Molecular Formula C25H19ClN2O5S
MDL Number MFCD31579823
Molecular Weight 494.95
MOL File 2083630-26-4.mol
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Chemical Properties

Boiling point  662.5±65.0 °C(Predicted)
density  1.463±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: 2mg/mL, clear
form  Solid
pka 4.50±1.00(Predicted)
color  White to off-white
InChI InChI=1S/C25H19ClN2O5S/c1-3-32-24(31)20-21(18-11-10-17(33-18)14-5-7-15(26)8-6-14)28(23(30)22(20)29)25-27-16-9-4-13(2)12-19(16)34-25/h4-12,21,29H,3H2,1-2H3
InChIKey NBZPOMWJBSLLCT-UHFFFAOYSA-N
SMILES N1(C2=NC3=CC=C(C)C=C3S2)C(=O)C(O)=C(C(OCC)=O)C1C1=CC=C(C2=CC=C(Cl)C=C2)O1

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