ChemSpider 2D Image | 3-[4-(Methylsulfanyl)phenoxy]propanoic acid | C10H12O3S

3-[4-(Methylsulfanyl)phenoxy]propanoic acid

  • Molecular FormulaC10H12O3S
  • Average mass212.266 Da
  • Monoisotopic mass212.050720 Da
  • ChemSpider ID15032992

More details:

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

3-[4-(Methylsulfanyl)phenoxy]propanoic acid [ACD/IUPAC Name]
3-[4-(Methylsulfanyl)phenoxy]propansäure [German] [ACD/IUPAC Name]
Acide 3-[4-(méthylsulfanyl)phénoxy]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[4-(methylthio)phenoxy]- [ACD/Index Name]
[18333-20-5] [RN]
18333-20-5 [RN]
3-(4-(methylthio)phenoxy)propanoic acid
3-[4-(methylthio)phenoxy]Propanoic acid
3-[4-(Methylthio)phenoxy]propionic Acid
MFCD16883062 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 352.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.0±3.0 kJ/mol
    Flash Point: 166.7±22.3 °C
    Index of Refraction: 1.579
    Molar Refractivity: 56.7±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.58
    ACD/LogD (pH 5.5): 1.14
    ACD/BCF (pH 5.5): 2.10
    ACD/KOC (pH 5.5): 25.18
    ACD/LogD (pH 7.4): -0.64
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 72 Å2
    Polarizability: 22.5±0.5 10-24cm3
    Surface Tension: 51.7±5.0 dyne/cm
    Molar Volume: 170.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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