ChemSpider 2D Image | 2-((ethoxythioxomethyl)thio)-2-methylpropanoic acid | C7H12O3S2

2-((ethoxythioxomethyl)thio)-2-methylpropanoic acid

  • Molecular FormulaC7H12O3S2
  • Average mass208.298 Da
  • Monoisotopic mass208.022781 Da
  • ChemSpider ID26519705

More details:

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

133944-74-8 [RN]
2-((ethoxythioxomethyl)thio)-2-methylpropanoic acid
2-[(Ethoxycarbonothioyl)sulfanyl]-2-methylpropanoic acid [ACD/IUPAC Name]
2-[(Ethoxycarbonothioyl)sulfanyl]-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 2-[(éthoxycarbonothioyl)sulfanyl]-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[(ethoxythioxomethyl)thio]-2-methyl- [ACD/Index Name]
[133944-74-8] [RN]
2-((ethoxycarbonothioyl)thio)-2-methylpropanoic acid
2-((EthoxyThioxo Methyl)Thio)-2-Methylpropanoic Acid
2-((EthoxyThioxoMethyl)Thio)-2-MethylpropanoicAcid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 320.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 61.8±6.0 kJ/mol
    Flash Point: 147.5±23.2 °C
    Index of Refraction: 1.560
    Molar Refractivity: 53.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): -0.45
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.55
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 53.8±3.0 dyne/cm
    Molar Volume: 164.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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