7-(chloromethyl)-2-(methylthio)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Weight247.732 g/mol
FormulaC7H6ClN3OS2
Hydrogen Acceptors6
Hydrogen Donors0
Aromatic Rings2
Rotatable Bonds2

7-(chloromethyl)-2-(methylthio)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (87572-21-2)

87572-21-2

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Alternate Names

  • 87572-21-2
  • SMILES
    CSC1=NN2C(=O)C=C(N=C2S1)CCl
  • InChIKey
    LWAQHHBMLMGDKV-UHFFFAOYSA-N

Estimated Properties

Boiling Point 404.96 C EPI Suite
Density 1.5 g/cm3 EPA T.E.S.T.
Flash Point 158.38 C EPA T.E.S.T.
Melting Point 168.2 C EPI Suite
Water Solubility 522.03 mg/L EPA T.E.S.T.
Water Solubility 2678.6 mg/L EPI Suite

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