ChemSpider 2D Image | (2S)-1-(Methylsulfanyl)-2-propanamine | C4H11NS

(2S)-1-(Methylsulfanyl)-2-propanamine

  • Molecular FormulaC4H11NS
  • Average mass105.202 Da
  • Monoisotopic mass105.061218 Da
  • ChemSpider ID32973545

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(Methylsulfanyl)-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-(Methylsulfanyl)-2-propanamine [ACD/IUPAC Name]
(2S)-1-(Méthylsulfanyl)-2-propanamine [French] [ACD/IUPAC Name]
(2S)-1-(methylsulfanyl)propan-2-amine
2-Propanamine, 1-(methylthio)-, (2S)- [ACD/Index Name]
741658-04-8 [RN]
MFCD19216656

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 158.9±23.0 °C at 760 mmHg
    Vapour Pressure: 2.6±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 39.6±3.0 kJ/mol
    Flash Point: 49.9±22.6 °C
    Index of Refraction: 1.482
    Molar Refractivity: 32.1±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.55
    ACD/LogD (pH 5.5): -2.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.39
    Polar Surface Area: 51 Å2
    Polarizability: 12.7±0.5 10-24cm3
    Surface Tension: 32.3±3.0 dyne/cm
    Molar Volume: 112.6±3.0 cm3

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