ChemSpider 2D Image | 1-(Cyclopropylmethyl)-4-[(cyclopropylmethyl)sulfanyl]cyclohexanecarbonitrile | C15H23NS

1-(Cyclopropylmethyl)-4-[(cyclopropylmethyl)sulfanyl]cyclohexanecarbonitrile

  • Molecular FormulaC15H23NS
  • Average mass249.415 Da
  • Monoisotopic mass249.155121 Da
  • ChemSpider ID57392799

More details:

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

1-(Cyclopropylmethyl)-4-[(cyclopropylmethyl)sulfanyl]cyclohexancarbonitril [German] [ACD/IUPAC Name]
1-(Cyclopropylmethyl)-4-[(cyclopropylmethyl)sulfanyl]cyclohexanecarbonitrile [ACD/IUPAC Name]
1-(Cyclopropylméthyl)-4-[(cyclopropylméthyl)sulfanyl]cyclohexanecarbonitrile [French] [ACD/IUPAC Name]
Cyclohexanecarbonitrile, 1-(cyclopropylmethyl)-4-[(cyclopropylmethyl)thio]- [ACD/Index Name]
1-(Cyclopropylmethyl)-4-((cyclopropylmethyl)thio)cyclohexanecarbonitrile
916160-36-6 [RN]
MFCD29921970

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 395.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 192.7±25.9 °C
    Index of Refraction: 1.551
    Molar Refractivity: 73.3±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.80
    ACD/LogD (pH 5.5): 4.26
    ACD/BCF (pH 5.5): 1014.02
    ACD/KOC (pH 5.5): 4935.45
    ACD/LogD (pH 7.4): 4.26
    ACD/BCF (pH 7.4): 1014.02
    ACD/KOC (pH 7.4): 4935.45
    Polar Surface Area: 49 Å2
    Polarizability: 29.0±0.5 10-24cm3
    Surface Tension: 44.8±5.0 dyne/cm
    Molar Volume: 229.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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