ChemSpider 2D Image | 2-{[4-(Methylsulfanyl)phenyl]amino}-3-pyridinesulfonamide | C12H13N3O2S2

2-{[4-(Methylsulfanyl)phenyl]amino}-3-pyridinesulfonamide

  • Molecular FormulaC12H13N3O2S2
  • Average mass295.380 Da
  • Monoisotopic mass295.044922 Da
  • ChemSpider ID29136055

More details:

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

1340859-21-3 [RN]
2-{[4-(Methylsulfanyl)phenyl]amino}-3-pyridinesulfonamide [ACD/IUPAC Name]
2-{[4-(Méthylsulfanyl)phényl]amino}-3-pyridinesulfonamide [French] [ACD/IUPAC Name]
2-{[4-(Methylsulfanyl)phenyl]amino}-3-pyridinsulfonamid [German] [ACD/IUPAC Name]
2-{[4-(methylsulfanyl)phenyl]amino}pyridine-3-sulfonamide
3-Pyridinesulfonamide, 2-[[4-(methylthio)phenyl]amino]- [ACD/Index Name]
[1340859-21-3] [RN]
2-((4-(Methylthio)phenyl)amino)pyridine-3-sulfonamide
2-([4-(Methylthio)phenyl]amino)pyridine-3-sulfonamide
2-(4-methylsulfanylanilino)pyridine-3-sulfonamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 501.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.1±3.0 kJ/mol
    Flash Point: 257.2±32.9 °C
    Index of Refraction: 1.691
    Molar Refractivity: 78.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.62
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 38.37
    ACD/KOC (pH 5.5): 473.18
    ACD/LogD (pH 7.4): 2.39
    ACD/BCF (pH 7.4): 38.23
    ACD/KOC (pH 7.4): 471.49
    Polar Surface Area: 119 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 74.8±5.0 dyne/cm
    Molar Volume: 203.9±5.0 cm3

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