F1065-0481 - ≥98% , CAS No.51942-37-1

CAS: 51942-37-1 Cat. No.: F1015568 Formula: C₁₅H₁₅NO₂S Peso molecolare: 273.400

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SC
• IUPAC Name: 4-methoxy-N-(2-methylsulfanylphenyl)benzamide
• InChIKey: DNZBXDFVAZEVAH-UHFFFAOYSA-N
• INCHI: 1S/C15H15NO2S/c1-18-12-9-7-11(8-10-12)15(17)16-13-5-3-4-6-14(13)19-2/h3-10H,1-2H3,(H,16,17)
• Peso molecolare: 273.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Benzamides Thiophenol ethers Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkylarylthioethers Alkyl aryl ethers Secondary carboxylic acid amides Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Aryl thioether - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Ether - Carboxylic acid derivative - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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: 273.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 273.082 Da
• Monoisotopic Mass: 273.082 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 290.000
• 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