ChemSpider 2D Image | (4-(Isobutylthio)phenyl)boronic acid | C10H15BO2S

(4-(Isobutylthio)phenyl)boronic acid

  • Molecular FormulaC10H15BO2S
  • Average mass210.101 Da
  • Monoisotopic mass210.088577 Da
  • ChemSpider ID28294190

More details:

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

(4-(Isobutylthio)phenyl)boronic acid
[4-(Isobutylsulfanyl)phenyl]borsäure [German] [ACD/IUPAC Name]
1217500-97-4 [RN]
Acide [4-(isobutylsulfanyl)phényl]boronique [French] [ACD/IUPAC Name]
B-[4-[(2-Methylpropyl)thio]phenyl]boronic acid
(4-(Isobutylthio)phenyl)boronicacid
[1217500-97-4] [RN]
[4-(Isobutylsulfanyl)phenyl]boronic acid [ACD/IUPAC Name]
{4-[(2-Methylpropyl)sulfanyl]phenyl}boronic acid
4-(isobutylthio)phenylboronic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 359.6±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 63.9±3.0 kJ/mol
    Flash Point: 171.3±28.4 °C
    Index of Refraction: 1.552
    Molar Refractivity: 59.8±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.48
    ACD/LogD (pH 5.5): 3.14
    ACD/BCF (pH 5.5): 144.08
    ACD/KOC (pH 5.5): 1220.73
    ACD/LogD (pH 7.4): 3.11
    ACD/BCF (pH 7.4): 134.02
    ACD/KOC (pH 7.4): 1135.54
    Polar Surface Area: 66 Å2
    Polarizability: 23.7±0.5 10-24cm3
    Surface Tension: 43.4±5.0 dyne/cm
    Molar Volume: 187.2±5.0 cm3

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