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2-chloro-N-1,3,4-thiadiazol-2-ylacetamide
Weight177.616 g/mol
FormulaC4H4ClN3OS
Hydrogen Acceptors4
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds2

2-chloro-N-1,3,4-thiadiazol-2-ylacetamide (4454-63-1)

4454-63-1

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Alternate Names

  • 4454-63-1
  • SMILES
    C1=NN=C(S1)NC(=O)CCl
  • InChIKey
    ZQMRUOLNPQGIHY-UHFFFAOYSA-N

Estimated Properties

Boiling Point 295 C EPA T.E.S.T.
Boiling Point 379.97 C EPI Suite
Density 1.52 g/cm3 EPA T.E.S.T.
Flash Point 126.81 C EPA T.E.S.T.
Melting Point 156.53 C EPI Suite
Water Solubility 4873.63 mg/L EPA T.E.S.T.
Water Solubility 130230 mg/L EPI Suite

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Synthesis

CHLOROACETYL CHLORIDE  +  2-Amino-1,3,4-thiadiazole (Schotten-Baumann amide from acid)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of 2-chloro-N-1,3,4-thiadiazol-2-ylacetamide ›

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