Found 41 results

Search term: MF = 'C_{6}H_{5}BrO_{3}S'
ChemSpider 2D Image | 4-Bromo-5-(methylsulfanyl)-2-furoic acid | C6H5BrO3S

4-Bromo-5-(methylsulfanyl)-2-furoic acid

  • Molecular FormulaC6H5BrO3S
  • Average mass237.071 Da
  • Monoisotopic mass235.914276 Da
  • ChemSpider ID35486349

More details:

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

1403566-69-7 [RN]
2-Furancarboxylic acid, 4-bromo-5-(methylthio)- [ACD/Index Name]
4-Brom-5-(methylsulfanyl)-2-furoesäure [German] [ACD/IUPAC Name]
4-Bromo-5-(methylsulfanyl)-2-furoic acid [ACD/IUPAC Name]
4-bromo-5-(methylsulfanyl)furan-2-carboxylic acid
Acide 4-bromo-5-(méthylsulfanyl)-2-furoïque [French] [ACD/IUPAC Name]
4-Bromo-5-(methylthio)furan-2-carboxylic acid
4-bromo-5-methylsulfanylfuran-2-carboxylic acid
4-Bromo-5-methylsulfanyl-furan-2-carboxylic acid
MFCD22548444

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 328.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 60.2±3.0 kJ/mol
    Flash Point: 152.3±27.9 °C
    Index of Refraction: 1.646
    Molar Refractivity: 45.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.51
    ACD/LogD (pH 5.5): 0.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.23
    ACD/LogD (pH 7.4): -0.60
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 18.2±0.5 10-24cm3
    Surface Tension: 67.8±5.0 dyne/cm
    Molar Volume: 126.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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