Found 22 results

Search term: MF = 'C_{7}H_{9}BO_{2}S'
ChemSpider 2D Image | ((Phenylthio)methyl)boronic acid | C7H9BO2S

((Phenylthio)methyl)boronic acid

  • Molecular FormulaC7H9BO2S
  • Average mass168.021 Da
  • Monoisotopic mass168.041626 Da
  • ChemSpider ID35784616

More details:

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

((Phenylthio)methyl)boronic acid
[(Phenylsulfanyl)methyl]boronic acid [ACD/IUPAC Name]
[(Phenylsulfanyl)methyl]borsäure [German] [ACD/IUPAC Name]
67975-88-6 [RN]
Acide [(phénylsulfanyl)méthyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(phenylthio)methyl]- [ACD/Index Name]
BORONIC ACID, [(PHENYLTHIO)METHYL]-
MFCD22191976

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

Density: 1.2±0.1 g/cm3
Boiling Point: 325.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 150.5±28.4 °C
Index of Refraction: 1.581
Molar Refractivity: 45.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.72
ACD/KOC (pH 5.5): 261.31
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.39
ACD/KOC (pH 7.4): 256.22
Polar Surface Area: 66 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 137.8±5.0 cm3

Click to predict properties on the Chemicalize site


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