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Home > Encyclopedia > 1-[4-[(4-Aminophenyl)thio]phenyl]ethanone oxime

1-[4-[(4-Aminophenyl)thio]phenyl]ethanone oxime

1-[4-[(4-Aminophenyl)thio]phenyl]ethanone oxime structure

1-[4-[(4-Aminophenyl)thio]phenyl]ethanone oxime 

structure
  • CAS No:

    7402-83-7

  • Formula:

    C14H14N2OS

  • Chemical Name:

    1-[4-[(4-Aminophenyl)thio]phenyl]ethanone oxime

  • Synonyms:

    Ethanone,1-[4-[(4-aminophenyl)thio]phenyl]-,oxime;Acetophenone,4′-[(p-aminophenyl)thio]-,oxime;1-[4-[(4-Aminophenyl)thio]phenyl]ethanone oxime;NSC 400325;1-[4-(4-Amino-phenylsulfanyl)-phenyl]-ethanone oxime

Description

The structure includes a ‌4-aminophenylthio group‌ and an ‌ethanone oxime group‌, exhibiting high hydrophobicity (predicted LogP ‌3.12‌) and polar surface area (PSA ‌83.91‌)1.
Typically appears as a solid, though specific physical parameters (e.g., melting point, solubility) are not explicitly documented.

1-[4-[(4-Aminophenyl)thio]phenyl]ethanone oxime Basic Attributes

258.34 g/mol

258.34

400325

DTXSID80419631

Characteristics

83.9 Ų

1-[4-[(4-Aminophenyl)thio]phenyl]ethanone oxime Use and Manufacturing

‌1.Organic Synthesis Intermediate‌
 
As a sulfur-containing aromatic amine compound, it may serve as a precursor in synthesizing pharmaceuticals, functional materials, or ligand molecules, leveraging its reactive amino and oxime groups12.
‌2.Pharmaceutical Research‌
 
Structurally similar aminophenylketone derivatives (e.g., 4-dimethylaminophenylacetone) are used as intermediates in drug development (e.g., bronchodilators like clenbuterol)38. This compound may contribute to constructing specific drug molecules.
‌3.Chemical Reagents and Detection‌
 
Oxime derivatives are often employed in metal ion detection or analytical reagents. Its amino and thioether groups may confer unique coordination properties

Computed Properties

Molecular Weight:258.34
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:258.08268425
Monoisotopic Mass:258.08268425
Topological Polar Surface Area:83.9
Heavy Atom Count:18
Complexity:280
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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