fenbendazoleamine - ≥95% , CAS No.53065-28-4

CAS: 53065-28-4 Cat. No.: F769508 Peso molecular: 241.3115

GRADE & PURITY ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N3)N
• InChIKey: OJDMYVLGXHUDMW-UHFFFAOYSA-N
• INCHI: 1S/C13H11N3S/c14-13-15-11-7-6-10(8-12(11)16-13)17-9-4-2-1-3-5-9/h1-8H,(H3,14,15,16)
• Isómeros SMILES: C1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N3)N
• Peso molecular: 241.3115

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Benzimidazoles Thiophenol ethers Benzene and substituted derivatives Aminoimidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diarylthioether - Benzimidazole - Thiophenol ether - Aminoimidazole - Monocyclic benzene moiety - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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: 241.310 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 241.067 Da
• Monoisotopic Mass: 241.067 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 255.000
• 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