3-((4-Nitrophenyl)thio)-2-phenylimidazo[1,2-a]pyridine , CAS No.295363-15-4

CAS: 295363-15-4 Cat. No.: N948276 Peso molecular: 347.400

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)SC4=CC=C(C=C4)[N+](=O)[O-]
• IUPAC Name: 3-(4-nitrophenyl)sulfanyl-2-phenylimidazo[1,2-a]pyridine
• InChIKey: LMGJFUMLXUKLNE-UHFFFAOYSA-N
• INCHI: 1S/C19H13N3O2S/c23-22(24)15-9-11-16(12-10-15)25-19-18(14-6-2-1-3-7-14)20-17-8-4-5-13-21(17)19/h1-13H
• Peso molecular: 347.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Diarylthioethers Imidazo[1,2-a]pyridines Imidazopyridines Nitrobenzenes Nitroaromatic compounds Thiophenol ethers N-substituted imidazoles Pyridines and derivatives Heteroaromatic compounds Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - Diarylthioether - Imidazopyridine - Imidazo[1,2-a]pyridine - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Thioether - Organic 1,3-dipolar compound - Sulfenyl compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 347.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 347.073 Da
• Monoisotopic Mass: 347.073 Da
• Topological Polar Surface Area: 88.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 458.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1