Cas no 852388-99-9 (1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one)

1-(2,4-Dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one is a heterocyclic compound featuring an imidazolone core with a thiol functional group at the 2-position and a 2,4-dimethylphenyl substituent at the 1-position. This structure imparts reactivity suitable for applications in organic synthesis, particularly in the formation of sulfur-containing derivatives or as a building block for pharmacologically active molecules. The presence of the thiol group allows for further functionalization, while the aromatic substituent enhances stability. Its well-defined molecular architecture makes it a valuable intermediate in medicinal chemistry and material science research, where precise control over molecular properties is essential.
1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one structure
852388-99-9 structure
Product Name:1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS No:852388-99-9
MF:C11H12N2OS
MW:220.290781021118
CID:844320
PubChem ID:2560534
Update Time:2025-05-20

1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one Chemical and Physical Properties

Names and Identifiers

    • 3-(2,4-DIMETHYLPHENYL)-2-MERCAPTO-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
    • SR-01000065837-1
    • AKOS027427160
    • 3-(2,4-Dimethylphenyl)-2-thioxo-4-imidazolidinone
    • DTXSID901234821
    • EN300-12732
    • 1-(2,4-Dimethylphenyl)-2-mercapto-1H-imidazol-5(4H)-one
    • J-510471
    • Z85935725
    • 852388-99-9
    • SR-01000065837
    • 1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
    • 3-(2,4-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
    • G76340
    • MDL: MFCD06655457
    • Inchi: 1S/C11H12N2OS/c1-7-3-4-9(8(2)5-7)13-10(14)6-12-11(13)15/h3-5H,6H2,1-2H3,(H,12,15)
    • InChI Key: CYBZIXGOGAPGQZ-UHFFFAOYSA-N
    • SMILES: S=C1NCC(N1C1C=CC(C)=CC=1C)=O

Computed Properties

  • Exact Mass: 220.06703418g/mol
  • Monoisotopic Mass: 220.06703418g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 292
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 64.4?2

1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one Pricemore >>

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Additional information on 1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one

Introduction to 1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one (CAS No. 852388-99-9)

1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one is a heterocyclic compound with significant potential in the field of pharmaceutical and chemical research. This compound, identified by its CAS number 852388-99-9, belongs to the imidazolone class and features a unique structural framework that makes it a subject of interest for medicinal chemists and biologists. The presence of a sulfanyl group at the second position and dimethyl substitution on the phenyl ring contributes to its distinct chemical properties, which are being explored for various applications.

The molecular structure of 1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one consists of a five-membered imidazolone ring fused with a benzene ring. The sulfanyl moiety at the second position introduces polarity and reactivity, making it a versatile scaffold for further derivatization. This compound has garnered attention due to its ability to interact with biological targets, which is a critical factor in drug discovery processes.

In recent years, there has been growing interest in imidazolone derivatives due to their reported bioactivity. Studies have suggested that compounds with similar structural motifs may exhibit properties such as kinase inhibition, anti-inflammatory effects, and antimicrobial activity. The dimethylphenyl substituents in 1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one are particularly noteworthy, as they can influence electronic distribution and binding affinity to biological targets.

Current research in this area focuses on leveraging computational methods and high-throughput screening to identify novel derivatives with enhanced pharmacological properties. The sulfanyl group provides a site for hydrogen bonding or coordination interactions with biological molecules, which is essential for designing effective drugs. Furthermore, the flexibility of the 4,5-dihydro-1H-imidazol-5-one core allows for structural modifications that can fine-tune biological activity.

One of the most promising applications of 1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one is in the development of small-molecule inhibitors for therapeutic targets. For instance, derivatives of this compound have shown potential in inhibiting specific kinases that are implicated in cancer progression. The ability to modulate these kinases could lead to novel therapeutic strategies for treating various diseases.

The synthesis of 1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic techniques such as palladium-catalyzed cross-coupling reactions have been employed to construct the desired heterocyclic core efficiently. These synthetic approaches are crucial for producing sufficient quantities of the compound for further biological testing.

From a chemical biology perspective, understanding the interactions between 1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one and biological targets is essential for rational drug design. Techniques such as X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy have been utilized to elucidate binding modes and identify key residues involved in molecular recognition. These insights can guide the development of more potent and selective drug candidates.

The pharmaceutical industry is increasingly interested in heterocyclic compounds due to their diverse biological activities and favorable pharmacokinetic properties. 1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one exemplifies how structural complexity can be leveraged to develop innovative therapeutics. As research continues to uncover new applications for this compound and its derivatives, it is likely to play an important role in future drug development efforts.

In conclusion,1-(2,4-dimethylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one (CAS No. 852388-99-9) is a structurally intriguing compound with significant potential in pharmaceutical research. Its unique combination of functional groups and bioactive properties makes it a valuable scaffold for developing novel therapeutics. Ongoing studies aim to fully explore its capabilities and translate these findings into clinical applications that benefit human health.

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