ChemSpider 2D Image | {3-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)carbamoyl]phenyl}boronic acid | C12H16BNO5S

{3-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)carbamoyl]phenyl}boronic acid

  • Molecular FormulaC12H16BNO5S
  • Average mass297.135 Da
  • Monoisotopic mass297.084229 Da
  • ChemSpider ID72878026

More details:

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

{3-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)carbamoyl]phenyl}boronic acid [ACD/IUPAC Name]
{3-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)carbamoyl]phenyl}borsäure [German] [ACD/IUPAC Name]
Acide {3-[(1,1-dioxydotétrahydro-3-thiophényl)(méthyl)carbamoyl]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[[methyl(tetrahydro-1,1-dioxido-3-thienyl)amino]carbonyl]phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 642.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 342.4±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 71.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.36
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.64
Polar Surface Area: 103 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 210.1±5.0 cm3

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