ChemSpider 2D Image | 6-(Methylsulfanyl)nicotinaldehyde | C7H7NOS

6-(Methylsulfanyl)nicotinaldehyde

  • Molecular FormulaC7H7NOS
  • Average mass153.202 Da
  • Monoisotopic mass153.024841 Da
  • ChemSpider ID24190126

More details:

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

149805-95-8 [RN]
3-Pyridinecarboxaldehyde, 6-(methylthio)- [ACD/Index Name]
6-(Methylsulfanyl)nicotinaldehyd [German] [ACD/IUPAC Name]
6-(Methylsulfanyl)nicotinaldehyde [ACD/IUPAC Name]
6-(Méthylsulfanyl)nicotinaldéhyde [French] [ACD/IUPAC Name]
6-(Methylthio)-3-pyridinecarboxaldehyde
[149805-95-8] [RN]
2-Methylthiopyridine-5-carboxaldehyde
3-Pyridinecarboxaldehyde, 6-(methylthio)- (9CI)
3-Pyridinecarboxaldehyde,6-(methylthio)-
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 298.2±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.8±3.0 kJ/mol
    Flash Point: 134.1±23.2 °C
    Index of Refraction: 1.580
    Molar Refractivity: 42.2±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.91
    ACD/LogD (pH 5.5): 1.31
    ACD/BCF (pH 5.5): 5.84
    ACD/KOC (pH 5.5): 123.14
    ACD/LogD (pH 7.4): 1.31
    ACD/BCF (pH 7.4): 5.84
    ACD/KOC (pH 7.4): 123.16
    Polar Surface Area: 55 Å2
    Polarizability: 16.7±0.5 10-24cm3
    Surface Tension: 51.2±5.0 dyne/cm
    Molar Volume: 126.6±5.0 cm3

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