Found 22 results

Search term: MF = 'C_{7}H_{9}BO_{2}S'
ChemSpider 2D Image | [2-(Sulfanylmethyl)phenyl]boronic acid | C7H9BO2S

[2-(Sulfanylmethyl)phenyl]boronic acid

  • Molecular FormulaC7H9BO2S
  • Average mass168.021 Da
  • Monoisotopic mass168.041626 Da
  • ChemSpider ID74965839

More details:

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

[2-(Sulfanylmethyl)phenyl]boronic acid [ACD/IUPAC Name]
[2-(Sulfanylmethyl)phenyl]borsäure [German] [ACD/IUPAC Name]
Acide [2-(sulfanylméthyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-(mercaptomethyl)phenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 366.8±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 175.6±28.4 °C
Index of Refraction: 1.579
Molar Refractivity: 45.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.03
ACD/KOC (pH 5.5): 318.33
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.56
ACD/KOC (pH 7.4): 296.98
Polar Surface Area: 79 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 137.6±5.0 cm3

Click to predict properties on the Chemicalize site


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