ChemSpider 2D Image | 1-(1,1-Dioxidotetrahydro-3-thiophenyl)-1,4-diazepane | C9H18N2O2S

1-(1,1-Dioxidotetrahydro-3-thiophenyl)-1,4-diazepane

  • Molecular FormulaC9H18N2O2S
  • Average mass218.316 Da
  • Monoisotopic mass218.108902 Da
  • ChemSpider ID21763853

More details:

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

1-(1,1-Dioxidotetrahydro-3-thiophenyl)-1,4-diazepan [German] [ACD/IUPAC Name]
1-(1,1-Dioxidotetrahydro-3-thiophenyl)-1,4-diazepane [ACD/IUPAC Name]
1-(1,1-Dioxydotétrahydro-3-thiophényl)-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, hexahydro-1-(tetrahydro-1,1-dioxido-3-thienyl)- [ACD/Index Name]
1-(1,1-Dioxo-tetrahydro-1λ*6*-thiophen-3-yl)-[1,4]diazepane
1-(1,1-DIOXO-TETRAHYDRO-1-λ-6-THIOPHEN-3-YL)-[1,4]DIAZEPANE
1019108-04-3 [RN]
3-(1,4-diazepan-1-yl)-1??-thiolane-1,1-dione
3-(1,4-DIAZEPAN-1-YL)-1λ(6)-THIOLANE-1,1-DIONE
3-(1,4-diazepan-1-yl)-1λ6-thiolane-1,1-dione
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 409.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.2±3.0 kJ/mol
    Flash Point: 201.5±28.7 °C
    Index of Refraction: 1.533
    Molar Refractivity: 56.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.90
    ACD/LogD (pH 5.5): -3.80
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.07
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 58 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 43.8±3.0 dyne/cm
    Molar Volume: 180.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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