ChemSpider 2D Image | (4aR,7aS)-1-(Methylsulfonyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide | C7H14N2O4S2

(4aR,7aS)-1-(Methylsulfonyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide

  • Molecular FormulaC7H14N2O4S2
  • Average mass254.327 Da
  • Monoisotopic mass254.039490 Da
  • ChemSpider ID45382922

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,7aS)-1-(Methylsulfonyl)octahydrothieno[3,4-b]pyrazin-6,6-dioxid [German] [ACD/IUPAC Name]
(4aR,7aS)-1-(Methylsulfonyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide [ACD/IUPAC Name]
6,6-Dioxyde de (4aR,7aS)-1-(méthylsulfonyl)octahydrothiéno[3,4-b]pyrazine [French] [ACD/IUPAC Name]
Thieno[3,4-b]pyrazine, octahydro-1-(methylsulfonyl)-, 6,6-dioxide, (4aR,7aS)- [ACD/Index Name]
2165502-08-7 [RN]
MFCD29762499

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 512.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.3±3.0 kJ/mol
    Flash Point: 263.5±32.9 °C
    Index of Refraction: 1.599
    Molar Refractivity: 55.5±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -1.32
    ACD/LogD (pH 5.5): -1.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.25
    ACD/LogD (pH 7.4): -1.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.48
    Polar Surface Area: 100 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 65.0±5.0 dyne/cm
    Molar Volume: 162.4±5.0 cm3

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