ChemSpider 2D Image | 3-[(3-Chlorobenzyl)sulfanyl]-1-propanamine | C10H14ClNS

3-[(3-Chlorobenzyl)sulfanyl]-1-propanamine

  • Molecular FormulaC10H14ClNS
  • Average mass215.743 Da
  • Monoisotopic mass215.053543 Da
  • ChemSpider ID23041430

More details:

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

1185320-24-4 [RN]
1-Propanamine, 3-[[(3-chlorophenyl)methyl]thio]- [ACD/Index Name]
3-[(3-Chlorbenzyl)sulfanyl]-1-propanamin [German] [ACD/IUPAC Name]
3-[(3-Chlorobenzyl)sulfanyl]-1-propanamine [ACD/IUPAC Name]
3-[(3-Chlorobenzyl)sulfanyl]-1-propanamine [French] [ACD/IUPAC Name]
3-{[(3-CHLOROPHENYL)METHYL]SULFANYL}PROPAN-1-AMINE
3-((3-Chlorobenzyl)thio)propan-1-amine
3-[(3-chlorobenzyl)thio]-1-propanamine
3-[(3-chlorophenyl)methylsulfanyl]propan-1-amine
MFCD12827472 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 319.9±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.1±3.0 kJ/mol
    Flash Point: 147.2±23.7 °C
    Index of Refraction: 1.580
    Molar Refractivity: 61.5±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.73
    ACD/LogD (pH 5.5): -0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.96
    Polar Surface Area: 51 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 184.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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