ChemSpider 2D Image | (3-(Tert-butylthio)phenyl)boronic acid | C10H15BO2S

(3-(Tert-butylthio)phenyl)boronic acid

  • Molecular FormulaC10H15BO2S
  • Average mass210.101 Da
  • Monoisotopic mass210.088577 Da
  • ChemSpider ID28294192

More details:

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

(3-(Tert-butylthio)phenyl)boronic acid
{3-[(2-Methyl-2-propanyl)sulfanyl]phenyl}borsäure [German] [ACD/IUPAC Name]
1217501-05-7 [RN]
Acide {3-[(2-méthyl-2-propanyl)sulfanyl]phényl}boronique [French] [ACD/IUPAC Name]
B-[3-[(1,1-Dimethylethyl)thio]phenyl]boronic acid
(3-(Tert-butylthio)phenyl)boronicacid
[1217501-05-7] [RN]
[3-(tert-Butylsulfanyl)phenyl]boronic acid
{3-[(2-Methyl-2-propanyl)sulfanyl]phenyl}boronic acid [ACD/IUPAC Name]
3-(t-butylthio)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: 359.5±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: 171.2±28.4 °C
    Index of Refraction: 1.553
    Molar Refractivity: 59.8±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 3.07
    ACD/BCF (pH 5.5): 127.03
    ACD/KOC (pH 5.5): 1114.90
    ACD/LogD (pH 7.4): 2.99
    ACD/BCF (pH 7.4): 104.42
    ACD/KOC (pH 7.4): 916.49
    Polar Surface Area: 66 Å2
    Polarizability: 23.7±0.5 10-24cm3
    Surface Tension: 43.0±5.0 dyne/cm
    Molar Volume: 187.0±5.0 cm3

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