methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate
Weight259.286 g/mol
FormulaC13H9NO3S
Hydrogen Acceptors5
Hydrogen Donors0
Aromatic Rings3
Rotatable Bonds2

methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate (136427-69-5)

136427-69-5

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Alternate Names

  • 136427-69-5
  • SMILES
    COC(=O)C1=CC(=C2N1C3=CC=CC=C3S2)C=O
  • InChIKey
    QFKKKSBJQJKZIG-UHFFFAOYSA-N

Estimated Properties

Boiling Point 393.98 C EPI Suite
Density 1.41 g/cm3 EPA T.E.S.T.
Melting Point 153.67 C EPI Suite
Water Solubility 16.55 mg/L EPA T.E.S.T.
Water Solubility 362.05 mg/L EPI Suite

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