4-(4-hydroxyphenyl)-2-methylsulfanyl-phenol - ≥97% , CAS No.69432-61-7

CAS: 69432-61-7 Cat. No.: M634387 Peso molecular: 232.3 PubChem CID: 190021

GRADE & PURITY ≥97%

Synonyms

SB74193 | PS-18621 | D96923 | SCHEMBL24244918 | 3-(Methylthio)-[1,1'-biphenyl]-4,4'-diol | [1,1'-Biphenyl]-4,4'-diol,3-(methylthio)- | SY323203 | MFCD30542930 | 4-(4-hydroxyphenyl)-2-methylsulfanylphenol | 4-(4-hydroxyphenyl)-2-methylsulfanyl-phenol | sta

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SB74193 | PS-18621 | D96923 | SCHEMBL24244918 | 3-(Methylthio)-[1, 1'-biphenyl]-4, 4'-diol | [1, 1'-Biphenyl]-4, 4'-diol, 3-(methylthio)- | SY323203 | MFCD30542930 | 4-(4-hydroxyphenyl)-2-methylsulfanylphenol | 4-(4-hydroxyphenyl)-2-methylsulfanyl-phenol | sta

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CSC1=C(C=CC(=C1)C2=CC=C(C=C2)O)O
• IUPAC Name: 4-(4-hydroxyphenyl)-2-methylsulfanylphenol
• InChIKey: HZNMBDKRAFPLOY-UHFFFAOYSA-N
• INCHI: 1S/C13H12O2S/c1-16-13-8-10(4-7-12(13)15)9-2-5-11(14)6-3-9/h2-8,14-15H,1H3
• Isómeros SMILES: CSC1=C(C=CC(=C1)C2=CC=C(C=C2)O)O
• CAS alternativo: 69432-61-7
• PubChem CID: 190021
• Peso molecular: 232.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenols
• Alternative Parents: Biphenyls and derivatives Thiophenol ethers Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Sulfenyl compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenol - Biphenyl - Aryl thioether - Thiophenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Phenol - Sulfenyl compound - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenols. These are organic compounds containing two phenol groups linked together by a C-C 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: 232.300 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 232.056 Da
• Monoisotopic Mass: 232.056 Da
• Topological Polar Surface Area: 65.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 214.000
• 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