ChemSpider 2D Image | 2-Methyl-4'-(methylsulfanyl)-4-biphenylcarboxylic acid | C15H14O2S

2-Methyl-4'-(methylsulfanyl)-4-biphenylcarboxylic acid

  • Molecular FormulaC15H14O2S
  • Average mass258.336 Da
  • Monoisotopic mass258.071442 Da
  • ChemSpider ID28535855

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-4'-(methylthio)- [ACD/Index Name]
2-Methyl-4'-(methylsulfanyl)-4-biphenylcarbonsäure [German] [ACD/IUPAC Name]
2-Methyl-4'-(methylsulfanyl)-4-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 2-méthyl-4'-(méthylsulfanyl)-4-biphénylcarboxylique [French] [ACD/IUPAC Name]
[1261964-62-8] [RN]
1261964-62-8 [RN]
2-Methyl-4'-(methylthio)-[1,1'-biphenyl]-4-carboxylic acid
2-Methyl-4'-(methylthio)-[1,1'-biphenyl]-4-carboxylicacid
3-Methyl-4-(4-methylthiophenyl)benzoic acid
95%
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 418.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.9±3.0 kJ/mol
    Flash Point: 207.1±27.3 °C
    Index of Refraction: 1.645
    Molar Refractivity: 75.0±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.70
    ACD/LogD (pH 5.5): 3.59
    ACD/BCF (pH 5.5): 160.30
    ACD/KOC (pH 5.5): 595.50
    ACD/LogD (pH 7.4): 1.98
    ACD/BCF (pH 7.4): 3.98
    ACD/KOC (pH 7.4): 14.78
    Polar Surface Area: 63 Å2
    Polarizability: 29.7±0.5 10-24cm3
    Surface Tension: 56.4±5.0 dyne/cm
    Molar Volume: 206.8±5.0 cm3

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