ChemSpider 2D Image | 3-(4-Chlorophenyl)-8-isopropyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione | C16H20ClN3S

3-(4-Chlorophenyl)-8-isopropyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione

  • Molecular FormulaC16H20ClN3S
  • Average mass321.868 Da
  • Monoisotopic mass321.106659 Da
  • ChemSpider ID26456685

More details:

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

1,4,8-Triazaspiro[4.5]dec-3-ene-2-thione, 3-(4-chlorophenyl)-8-(1-methylethyl)- [ACD/Index Name]
3-(4-Chlorophenyl)-8-isopropyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione [ACD/IUPAC Name]
3-(4-Chlorophényl)-8-isopropyl-1,4,8-triazaspiro[4.5]déc-3-ène-2-thione [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-8-isopropyl-1,4,8-triazaspiro[4.5]dec-3-en-2-thion [German] [ACD/IUPAC Name]
1325305-00-7 [RN]
3-(4-chlorophenyl)-8-(propan-2-yl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
3-(4-Chloro-phenyl)-8-isopropyl-1,4,8-triaza-spiro[4.5]dec-3-ene-2-thione
3-(4-chlorophenyl)-8-propan-2-yl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
VS-01632

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 421.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.6±3.0 kJ/mol
    Flash Point: 208.8±31.5 °C
    Index of Refraction: 1.658
    Molar Refractivity: 90.8±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.96
    ACD/LogD (pH 5.5): 0.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.93
    ACD/LogD (pH 7.4): 1.91
    ACD/BCF (pH 7.4): 5.55
    ACD/KOC (pH 7.4): 32.01
    Polar Surface Area: 60 Å2
    Polarizability: 36.0±0.5 10-24cm3
    Surface Tension: 45.1±7.0 dyne/cm
    Molar Volume: 246.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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