ChemSpider 2D Image | 3-(2-Propyn-1-ylsulfinyl)-1-propyne | C6H6OS

3-(2-Propyn-1-ylsulfinyl)-1-propyne

  • Molecular FormulaC6H6OS
  • Average mass126.176 Da
  • Monoisotopic mass126.013931 Da
  • ChemSpider ID58143902

More details:

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

1-Propyne, 3,3'-sulfinylbis- [ACD/Index Name]
3-(2-Propin-1-ylsulfinyl)-1-propin [German] [ACD/IUPAC Name]
3-(2-Propyn-1-ylsulfinyl)-1-propyne [ACD/IUPAC Name]
3-(2-Propyn-1-ylsulfinyl)-1-propyne [French] [ACD/IUPAC Name]
15292-69-0 [RN]
3-(PROP-2-YN-1-YLSULFINYL)PROP-1-YNE
3-(PROP-2-YNE-1-SULFINYL)PROP-1-YNE
3-prop-2-ynylsulfinylprop-1-yne
MFCD29059378

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 281.5±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 49.9±3.0 kJ/mol
    Flash Point: 124.0±23.2 °C
    Index of Refraction: 1.571
    Molar Refractivity: 34.4±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.47
    ACD/LogD (pH 5.5): 0.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 24.74
    ACD/LogD (pH 7.4): 0.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 24.74
    Polar Surface Area: 36 Å2
    Polarizability: 13.6±0.5 10-24cm3
    Surface Tension: 67.4±3.0 dyne/cm
    Molar Volume: 104.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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