(2，6-Diisopropyl-4-Phenoxy)Phenylthiourea - ≥97% , CAS No.135252-10-7

CAS: 135252-10-7 Cat. No.: P770634 Peso molecular: 328.47166

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)C1=CC(=CC(=C1NC(=S)N)C(C)C)OC2=CC=CC=C2
• InChIKey: RBDFBEPKVUICAS-UHFFFAOYSA-N
• INCHI: 1S/C19H24N2OS/c1-12(2)16-10-15(22-14-8-6-5-7-9-14)11-17(13(3)4)18(16)21-19(20)23/h5-13H,1-4H3,(H3,20,21,23)
• Isómeros SMILES: CC(C)C1=CC(=CC(=C1NC(=S)N)C(C)C)OC2=CC=CC=C2
• Peso molecular: 328.47166

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers N-phenylthioureas Phenylpropanes Cumenes Phenoxy compounds Phenol ethers Thioureas Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - N-phenylthiourea - Phenylpropane - Cumene - Phenoxy compound - Phenol ether - Thiourea - Ether - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

• Punto de ebullición (°C): 422.8±55.0°C at 760 mmHg
• Peso molecular: 328.500 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 328.161 Da
• Monoisotopic Mass: 328.161 Da
• Topological Polar Surface Area: 79.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 362.000
• 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