Found 16 results

Search term: MF = 'C_{9}H_{13}BO_{4}S'
ChemSpider 2D Image | [2,5-Dimethoxy-4-(methylsulfanyl)phenyl]boronic acid | C9H13BO4S

[2,5-Dimethoxy-4-(methylsulfanyl)phenyl]boronic acid

  • Molecular FormulaC9H13BO4S
  • Average mass228.073 Da
  • Monoisotopic mass228.062759 Da
  • ChemSpider ID129316839

More details:

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

[2,5-Dimethoxy-4-(methylsulfanyl)phenyl]boronic acid [ACD/IUPAC Name]
[2,5-Dimethoxy-4-(methylsulfanyl)phenyl]borsäure [German] [ACD/IUPAC Name]
Acide [2,5-diméthoxy-4-(méthylsulfanyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2,5-dimethoxy-4-(methylthio)phenyl]- [ACD/Index Name]
(2,5-Dimethoxy-4-(methylthio)phenyl)boronic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 417.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 206.5±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 58.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.39
ACD/KOC (pH 5.5): 311.48
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 17.87
ACD/KOC (pH 7.4): 260.31
Polar Surface Area: 84 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 181.8±5.0 cm3

Click to predict properties on the Chemicalize site


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