150831-14-4

Name Iguratimod Impurity 14
CAS 150831-14-4
Molecular Formula C15H16N2O5S
Molecular Weight 336.36
MOL File 150831-14-4.mol
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Chemical Properties

Boiling point  524.8±60.0 °C(Predicted)
density  1.436±0.06 g/cm3(Predicted)
pka 6.12±0.10(Predicted)
InChI InChI=1S/C15H16N2O5S/c1-23(20,21)17-12-8-13(18)11(14(19)9-16)7-15(12)22-10-5-3-2-4-6-10/h2-8,17-18H,9,16H2,1H3
InChIKey MFFYKQKTQWZYPF-UHFFFAOYSA-N
SMILES CS(NC1=CC(O)=C(C(CN)=O)C=C1OC1=CC=CC=C1)(=O)=O

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