ChemSpider 2D Image | Methyl 3-[(phenylsulfanyl)methyl]benzoate | C15H14O2S

Methyl 3-[(phenylsulfanyl)methyl]benzoate

  • Molecular FormulaC15H14O2S
  • Average mass258.336 Da
  • Monoisotopic mass258.071442 Da
  • ChemSpider ID21899037

More details:

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

3-[(Phénylsulfanyl)méthyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(phenylthio)methyl]-, methyl ester [ACD/Index Name]
Methyl 3-[(phenylsulfanyl)methyl]benzoate [ACD/IUPAC Name]
Methyl-3-[(phenylsulfanyl)methyl]benzoat [German] [ACD/IUPAC Name]
[137571-38-1] [RN]
137571-38-1 [RN]
97%
Methyl 3-((phenylthio)methyl)benzoate
methyl 3-(phenylthiomethyl)benzoate
methyl 3-[(phenylthio)methyl]benzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 394.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 191.0±14.0 °C
    Index of Refraction: 1.612
    Molar Refractivity: 75.2±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.77
    ACD/LogD (pH 5.5): 4.04
    ACD/BCF (pH 5.5): 687.50
    ACD/KOC (pH 5.5): 3736.99
    ACD/LogD (pH 7.4): 4.04
    ACD/BCF (pH 7.4): 687.50
    ACD/KOC (pH 7.4): 3736.99
    Polar Surface Area: 52 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 49.4±5.0 dyne/cm
    Molar Volume: 216.5±5.0 cm3

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