ChemSpider 2D Image | 1-Isothiocyanato-3-{2-[2-(3-isothiocyanatopropoxy)ethoxy]ethoxy}propane | C12H20N2O3S2

1-Isothiocyanato-3-{2-[2-(3-isothiocyanatopropoxy)ethoxy]ethoxy}propane

  • Molecular FormulaC12H20N2O3S2
  • Average mass304.429 Da
  • Monoisotopic mass304.091522 Da
  • ChemSpider ID22546712

More details:

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

1-Isothiocyanato-3-{2-[2-(3-isothiocyanatopropoxy)ethoxy]ethoxy}propan [German] [ACD/IUPAC Name]
1-Isothiocyanato-3-{2-[2-(3-isothiocyanatopropoxy)ethoxy]ethoxy}propane [ACD/IUPAC Name]
1-Isothiocyanato-3-{2-[2-(3-isothiocyanatopropoxy)éthoxy]éthoxy}propane [French] [ACD/IUPAC Name]
6,9,12-Trioxa-2,16-diazaheptadeca-1,16-diene, 1,17-dithioxo- [ACD/Index Name]
1,13-Bis-isothiocyanato-4,7,10-trioxatridecane
1031239-28-7 [RN]
1-isothiocyanato-3-[2-[2-(3-isothiocyanatopropoxy)ethoxy]ethoxy]propane

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 451.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 226.7±27.3 °C
    Index of Refraction: 1.520
    Molar Refractivity: 82.8±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 0
    ACD/LogP: 1.70
    ACD/LogD (pH 5.5): 3.08
    ACD/BCF (pH 5.5): 128.91
    ACD/KOC (pH 5.5): 1127.58
    ACD/LogD (pH 7.4): 3.08
    ACD/BCF (pH 7.4): 128.91
    ACD/KOC (pH 7.4): 1127.58
    Polar Surface Area: 117 Å2
    Polarizability: 32.8±0.5 10-24cm3
    Surface Tension: 37.2±7.0 dyne/cm
    Molar Volume: 272.1±7.0 cm3

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