4-(Phenylthio)benzyl Alcohol , CAS No.6317-56-2

CAS: 6317-56-2 Cat. No.: P341163 Peso molecular: 216.3 Número EC: 228-658-6 PubChem CID: 80593

Synonyms

AKOS009097618 | DTXSID10212511 | NSC 43060 | 5-alpha-THDOC | NSC43060 | NSC-43060 | J-523864 | 11.beta.-Hydroxyprogesterone | 4-(Phenylthio)benzyl Alcohol | L3GY707BLC | UNII-TMD9BW7WU5 | [4-(phenylthio)phenyl]methanol | p-(Phenylthio)benzyl alcohol pound

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

4-(Phenylthio)benzyl Alcohol is an impurity of Fenticonazole nitrate, a new potent antimycotic compound.

Specifications

Sinónimos

AKOS009097618 | DTXSID10212511 | NSC 43060 | 5-alpha-THDOC | NSC43060 | NSC-43060 | J-523864 | 11.beta.-Hydroxyprogesterone | 4-(Phenylthio)benzyl Alcohol | L3GY707BLC | UNII-TMD9BW7WU5 | [4-(phenylthio)phenyl]methanol | p-(Phenylthio)benzyl alcohol pound

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.

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)SC2=CC=C(C=C2)CO
• IUPAC Name: (4-phenylsulfanylphenyl)methanol
• InChIKey: PGOAWMRWDZJQTB-UHFFFAOYSA-N
• INCHI: 1S/C13H12OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2
• Isómeros SMILES: C1=CC=C(C=C1)SC2=CC=C(C=C2)CO
• PubChem CID: 80593
• Peso molecular: 216.3

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: Thiophenol ethers Benzyl alcohols Sulfenyl compounds Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diarylthioether - Thiophenol ether - Benzyl alcohol - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic 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

• Solubilidad: Soluble in methanol, and DMSO.
• Índice de refracción: n20D1.66 (Predicted)
• Punto de ebullición (°C): ~390.2° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 46-48° C
• Peso molecular: 216.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 216.061 Da
• Monoisotopic Mass: 216.061 Da
• Topological Polar Surface Area: 45.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 169.000
• 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