4-Methoxy-2'-methylthiobenzophenone , CAS No.760192-84-5

CAS: 760192-84-5 Cat. No.: M1258783 Formula: C₁₅H₁₄O₂S Peso molecolare: 258.34 PubChem CID: 24722794

Storage

Room temperature

Shipped In

Normal

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

• Sorrisi canonici: COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2SC
• IUPAC Name: (4-methoxyphenyl)-(2-methylsulfanylphenyl)methanone
• InChIKey: WEYPAMHTOPJRGL-UHFFFAOYSA-N
• INCHI: 1S/C15H14O2S/c1-17-12-9-7-11(8-10-12)15(16)13-5-3-4-6-14(13)18-2/h3-10H,1-2H3
• Isomeri SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2SC
• PubChem CID: 24722794
• Peso molecolare: 258.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Thiophenol ethers Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkylarylthioethers Alkyl aryl ethers Vinylogous thioesters Sulfenyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Aryl ketone - Benzoyl - Thiophenol ether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Vinylogous thioester - Ketone - Sulfenyl compound - Thioether - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl 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

Proprietà chimiche e fisiche

• Peso molecolare: 258.300 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 258.071 Da
• Monoisotopic Mass: 258.071 Da
• Topological Polar Surface Area: 51.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 272.000
• 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

Domande frequenti

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 760192-84-5, the molecular formula is C15H14O2S, and the molecular weight is 258.34 g/mol. InChIKey WEYPAMHTOPJRGL-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.