4-(Methylsulfinyl)phenol - ≥98% , CAS No.14763-64-5

CAS: 14763-64-5 Cat. No.: M181581 Fórmula: C₇H₈O₂S Peso molecular: 156.2 Número EC: 689-831-3

GRADE & PURITY ≥98%

Synonyms

NoName_308 | AS-59261 | Phenol,4-(methylsulfinyl)- | ZCQSJUGIZGMDDA-UHFFFAOYSA-N | AKOS005443263 | 4-(Methylsulphinyl)phenol | MFCD00464311 | CHEBI:38688 | 4-methanesulfinylphenol | 4-methanesulfinyl-phenol | Q27117944 | 4-(Methylsulfinyl)phenol | Phenol,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NoName_308 | AS-59261 | Phenol,4-(methylsulfinyl)- | ZCQSJUGIZGMDDA-UHFFFAOYSA-N | AKOS005443263 | 4-(Methylsulphinyl)phenol | MFCD00464311 | CHEBI:38688 | 4-methanesulfinylphenol | 4-methanesulfinyl-phenol | Q27117944 | 4-(Methylsulfinyl)phenol | Phenol,

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CS(=O)C1=CC=C(C=C1)O

IUPAC Name

4-methylsulfinylphenol

InChIKey

ZCQSJUGIZGMDDA-UHFFFAOYSA-N

INCHI

1S/C7H8O2S/c1-10(9)7-4-2-6(8)3-5-7/h2-5,8H,1H3

Isómeros SMILES

CS(=O)C1=CC=C(C=C1)O

Peso molecular

156.2

Reaxy-Rn

1859795

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859795&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenyl sulfoxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl sulfoxides
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Sulfoxides Sulfinyl compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl sulfoxide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Sulfoxide - Sulfinyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl group.
• External Descriptors: phenols - sulfoxide

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: 156.200 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.025 Da
• Monoisotopic Mass: 156.025 Da
• Topological Polar Surface Area: 56.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 128.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 14763-64-5, the molecular formula is C7H8O2S, and the molecular weight is 156.2 g/mol. InChIKey ZCQSJUGIZGMDDA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.