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3-{[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}propanoic acid
Weight264.31 g/mol
FormulaC11H12N4O2S
Hydrogen Acceptors6
Hydrogen Donors1
Aromatic Rings2
Rotatable Bonds5

3-{[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}propanoic acid (333786-74-6)

333786-74-6

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Alternate Names

  • 333786-74-6
  • SMILES
    CN1C(=NN=C1SCCC(=O)O)C2=CN=CC=C2
  • InChIKey
    HALAQBMWVIUCDV-UHFFFAOYSA-N

Estimated Properties

Boiling Point 391.72 C EPA T.E.S.T.
Boiling Point 442.25 C EPI Suite
Density 1.37 g/cm3 EPA T.E.S.T.
Flash Point 232.34 C EPA T.E.S.T.
Melting Point 185.62 C EPI Suite
Water Solubility 516.82 mg/L EPA T.E.S.T.
Water Solubility 375470 mg/L EPI Suite

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