ChemSpider 2D Image | MFCD11973800 | C17H31NS3

MFCD11973800

  • Molecular FormulaC17H31NS3
  • Average mass345.630 Da
  • Monoisotopic mass345.161865 Da
  • ChemSpider ID22516325

More details:

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

2-Cyan-2-propanyl-dodecylcarbonotrithioat [German] [ACD/IUPAC Name]
2-Cyano-2-propanyl dodecyl carbonotrithioate [ACD/IUPAC Name]
2-Cyanopropan-2-yl dodecyl carbonotrithioate
870196-83-1 [RN]
Carbonotrithioate de 2-cyano-2-propanyle et de dodécyle [French] [ACD/IUPAC Name]
Carbonotrithioic acid, 1-cyano-1-methylethyl dodecyl ester [ACD/Index Name]
MFCD11973800
2-{[(DODECYLSULFANYL)METHANETHIOYL]SULFANYL}-2-METHYLPROPANENITRILE
2-Cyanpropan-2-yl dodecyl carbonotrithioate
2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanenitrile
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 476.9±24.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.1±3.0 kJ/mol
    Flash Point: 242.2±22.9 °C
    Index of Refraction: 1.532
    Molar Refractivity: 104.0±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 1
    ACD/LogP: 8.13
    ACD/LogD (pH 5.5): 8.06
    ACD/BCF (pH 5.5): 789832.25
    ACD/KOC (pH 5.5): 579461.81
    ACD/LogD (pH 7.4): 8.06
    ACD/BCF (pH 7.4): 789832.25
    ACD/KOC (pH 7.4): 579461.81
    Polar Surface Area: 106 Å2
    Polarizability: 41.2±0.5 10-24cm3
    Surface Tension: 43.1±3.0 dyne/cm
    Molar Volume: 335.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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