ChemSpider 2D Image | CHEMBRDG-BB 7918010 | C13H14N2S

CHEMBRDG-BB 7918010

  • Molecular FormulaC13H14N2S
  • Average mass230.329 Da
  • Monoisotopic mass230.087769 Da
  • ChemSpider ID21612871

More details:

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

136401-56-4 [RN]
4-{[2-(2-Pyridinyl)ethyl]sulfanyl}anilin [German] [ACD/IUPAC Name]
4-{[2-(2-Pyridinyl)ethyl]sulfanyl}aniline [ACD/IUPAC Name]
4-{[2-(2-Pyridinyl)éthyl]sulfanyl}aniline [French] [ACD/IUPAC Name]
4-{[2-(Pyridin-2-yl)ethyl]sulfanyl}aniline
Benzenamine, 4-[[2-(2-pyridinyl)ethyl]thio]- [ACD/Index Name]
CHEMBRDG-BB 7918010
(4-((2-(2-PYRIDINYL)ETHYL)THIO)PHENYL)AMINE
(4-{[2-(2-pyridinyl)ethyl]thio}phenyl)amine
4-((2-(Pyridin-2-yl)ethyl)thio)aniline
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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: 417.7±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.1±3.0 kJ/mol
    Flash Point: 206.4±24.6 °C
    Index of Refraction: 1.645
    Molar Refractivity: 70.2±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.92
    ACD/LogD (pH 5.5): 2.25
    ACD/BCF (pH 5.5): 25.80
    ACD/KOC (pH 5.5): 297.84
    ACD/LogD (pH 7.4): 2.52
    ACD/BCF (pH 7.4): 48.07
    ACD/KOC (pH 7.4): 554.84
    Polar Surface Area: 64 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 57.8±5.0 dyne/cm
    Molar Volume: 193.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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