130786-32-2

Name Epalrestat Impurity 4
CAS 130786-32-2
Molecular Formula C8H9NO3S2
Molecular Weight 231.29
MOL File 130786-32-2.mol
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Chemical Properties

Melting point  138-140 °C
Boiling point  397.5±44.0 °C(Predicted)
density  1.50±0.1 g/cm3(Predicted)
pka 3.62±0.10(Predicted)
InChI InChI=1S/C8H9NO3S2/c1-2-3-5-7(12)9(4-6(10)11)8(13)14-5/h3H,2,4H2,1H3,(H,10,11)/b5-3-
InChIKey WBUITYWHHOUUFH-HYXAFXHYSA-N
SMILES S1/C(=C\CC)/C(=O)N(CC(O)=O)C1=S

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