ChemSpider 2D Image | 3-[(2-Methylbenzyl)sulfanyl]-1-propanamine | C11H17NS

3-[(2-Methylbenzyl)sulfanyl]-1-propanamine

  • Molecular FormulaC11H17NS
  • Average mass195.324 Da
  • Monoisotopic mass195.108170 Da
  • ChemSpider ID22524910

More details:






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

1082766-46-8 [RN]
1-Propanamine, 3-[[(2-methylphenyl)methyl]thio]- [ACD/Index Name]
3-[(2-Methylbenzyl)sulfanyl]-1-propanamin [German] [ACD/IUPAC Name]
3-[(2-Methylbenzyl)sulfanyl]-1-propanamine [ACD/IUPAC Name]
3-[(2-Méthylbenzyl)sulfanyl]-1-propanamine [French] [ACD/IUPAC Name]
3-((2-Methylbenzyl)thio)propan-1-amine
3-[(2-methylbenzyl)thio]-1-propanamine
3-[(2-methylphenyl)methylsulfanyl]propan-1-amine
3-{[(2-Methylphenyl)methyl]sulfanyl}propan-1-amine
MFCD11505334 [MDL number]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.0±0.1 g/cm3
    Boiling Point: 309.7±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.0±3.0 kJ/mol
    Flash Point: 141.1±24.6 °C
    Index of Refraction: 1.563
    Molar Refractivity: 61.4±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.59
    ACD/LogD (pH 5.5): -0.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.24
    Polar Surface Area: 51 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 41.7±3.0 dyne/cm
    Molar Volume: 189.2±3.0 cm3

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