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130786-32-2

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130786-32-2 Structure

130786-32-2 Structure
IdentificationBack Directory
[Name]

Epalrestat Impurity 4
[CAS]

130786-32-2
[Synonyms]

3-Thiazolidineacetic acid, 4-oxo-5-propylidene-2-thioxo-, (Z)- (9CI)
[Molecular Formula]

C8H9NO3S2
[MOL File]

130786-32-2.mol
[Molecular Weight]

231.29
Chemical PropertiesBack Directory
[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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