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5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-2-furoic acid
Weight264.306 g/mol
FormulaC12H12N2O3S
Hydrogen Acceptors5
Hydrogen Donors1
Aromatic Rings2
Rotatable Bonds4

5-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-2-furoic acid (438622-94-7)

438622-94-7

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Alternate Names

  • 438622-94-7
  • SMILES
    CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)C
  • InChIKey
    HWENPASLBBETFY-UHFFFAOYSA-N

Estimated Properties

Boiling Point 366.56 C EPA T.E.S.T.
Boiling Point 411.87 C EPI Suite
Density 1.37 g/cm3 EPA T.E.S.T.
Flash Point 214.37 C EPA T.E.S.T.
Melting Point 171.43 C EPI Suite
Water Solubility 151.15 mg/L EPA T.E.S.T.
Water Solubility 512.36 mg/L EPI Suite

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