1,1′,4′,1′′-Terphenyl-4-thiol - ≥97% , CAS No.90589-98-3

CAS: 90589-98-3 Cat. No.: T469834 Peso molecular: 262.37 Número EC: 693-376-6 PubChem CID: 45925731

GRADE & PURITY ≥97%

Synonyms

DTXSID60672621 | 1,1',4',1''-TERPHENYL-4-THIOL | FT-0676072 | SCHEMBL966905 | 4-{[1,1'-biphenyl]-4-yl}benzene-1-thiol | [1~1~,2~1~:2~4~,3~1~-Terphenyl]-1~4~-thiol | 4-terphenylthiol | [1,1':4',1''-Terphenyl]-4-thiol | 4-(4-PHENYLPHENYL)BENZENETHIOL | MFCD

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

DTXSID60672621 | 1, 1', 4', 1''-TERPHENYL-4-THIOL | FT-0676072 | SCHEMBL966905 | 4-{[1, 1'-biphenyl]-4-yl}benzene-1-thiol | [1~1~, 2~1~:2~4~, 3~1~-Terphenyl]-1~4~-thiol | 4-terphenylthiol | [1, 1':4', 1''-Terphenyl]-4-thiol | 4-(4-PHENYLPHENYL)BENZENETHIOL | MFCD

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)S
• IUPAC Name: 4-(4-phenylphenyl)benzenethiol
• InChIKey: KDECGGARTQDFEI-UHFFFAOYSA-N
• INCHI: 1S/C18H14S/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,19H
• Isómeros SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)S
• PubChem CID: 45925731
• Número ONU: 3077
• Peso molecular: 262.37

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Terphenyls
• Intermediate Tree Nodes: Not available
• Direct Parent: P-terphenyls
• Alternative Parents: Biphenyls and derivatives Thiophenols Thiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para-terphenyl - Biphenyl - Thiophenol - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-terphenyls. These are terphenyls with a structure containing the 1,4-diphenylbenzene skeleton.
• 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 inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Punto de fusión (°C): 246-252℃
• Peso molecular: 262.400 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 262.082 Da
• Monoisotopic Mass: 262.082 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 253.000
• 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