ChemSpider 2D Image | 4-Fluoro-3-sulfanylbenzoic acid | C7H5FO2S

4-Fluoro-3-sulfanylbenzoic acid

  • Molecular FormulaC7H5FO2S
  • Average mass172.177 Da
  • Monoisotopic mass171.999435 Da
  • ChemSpider ID28545257

More details:

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

4-Fluor-3-sulfanylbenzoesäure [German] [ACD/IUPAC Name]
4-Fluoro-3-sulfanylbenzoic acid [ACD/IUPAC Name]
Acide 4-fluoro-3-sulfanylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-fluoro-3-mercapto- [ACD/Index Name]
1219001-34-9 [RN]
4-fluoro-3-mercaptobenzoic acid
4-Fluoro-3-mercapto-benzoic acid
AGN-PC-0AA074
EN300-85334
MFCD20441531
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 320.5±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.4±3.0 kJ/mol
    Flash Point: 147.6±23.7 °C
    Index of Refraction: 1.613
    Molar Refractivity: 41.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.61
    ACD/LogD (pH 5.5): 0.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.43
    ACD/LogD (pH 7.4): -1.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 16.4±0.5 10-24cm3
    Surface Tension: 56.1±3.0 dyne/cm
    Molar Volume: 118.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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