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868754-41-0

Name a-[(Aminocarbonyl)thio]-4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzenepropanoic Acid Ethyl Ester
CAS 868754-41-0
Molecular Formula C21H26N2O4S
MDL Number MFCD16293754
Molecular Weight 402.51
MOL File 868754-41-0.mol

Chemical Properties

Melting point  89-91C
Boiling point  582.3±60.0 °C(Predicted)
density  1.204±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka 13.36±0.50(Predicted)
color  White to Off-White
InChI InChI=1S/C21H26N2O4S/c1-3-15-5-8-17(23-14-15)11-12-27-18-9-6-16(7-10-18)13-19(28-21(22)25)20(24)26-4-2/h5-10,14,19H,3-4,11-13H2,1-2H3,(H2,22,25)
InChIKey ITXRIKOYRWVLAY-UHFFFAOYSA-N
SMILES C1(CC(SC(N)=O)C(OCC)=O)=CC=C(OCCC2=NC=C(CC)C=C2)C=C1

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