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[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetic acid
Weight296.373 g/mol
FormulaC12H12N2O3S2
Hydrogen Acceptors5
Hydrogen Donors2
Aromatic Rings2
Rotatable Bonds3

[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetic acid (112672-69-2)

112672-69-2

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Alternate Names

  • 112672-69-2
  • SMILES
    C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC(=O)O
  • InChIKey
    RXADBNGYRCQTLE-UHFFFAOYSA-N

Estimated Properties

Boiling Point 593.71 C EPI Suite
Density 1.53 g/cm3 EPA T.E.S.T.
Flash Point 275.02 C EPA T.E.S.T.
Melting Point 256.37 C EPI Suite
Water Solubility 40.65 mg/L EPA T.E.S.T.
Water Solubility 15566 mg/L EPI Suite

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