ChemSpider 2D Image | 5-Iodo-2-(methylsulfanyl)benzaldehyde | C8H7IOS

5-Iodo-2-(methylsulfanyl)benzaldehyde

  • Molecular FormulaC8H7IOS
  • Average mass278.110 Da
  • Monoisotopic mass277.926208 Da
  • ChemSpider ID60598693

More details:

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

5-Iod-2-(methylsulfanyl)benzaldehyd [German] [ACD/IUPAC Name]
5-Iodo-2-(methylsulfanyl)benzaldehyde [ACD/IUPAC Name]
5-Iodo-2-(méthylsulfanyl)benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 5-iodo-2-(methylthio)- [ACD/Index Name]
1289045-54-0 [RN]
5-Iodo-2-(methylthio)benzaldehyde
MFCD29120448

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 320.3±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.2±3.0 kJ/mol
    Flash Point: 147.5±26.5 °C
    Index of Refraction: 1.670
    Molar Refractivity: 57.3±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.80
    ACD/LogD (pH 5.5): 3.50
    ACD/BCF (pH 5.5): 268.92
    ACD/KOC (pH 5.5): 1908.69
    ACD/LogD (pH 7.4): 3.50
    ACD/BCF (pH 7.4): 268.92
    ACD/KOC (pH 7.4): 1908.69
    Polar Surface Area: 42 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 54.7±5.0 dyne/cm
    Molar Volume: 153.4±5.0 cm3

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