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

{3-[(3-Methyl-1,1-dioxidotetrahydro-3-thiophenyl)carbamoyl]phenyl}boronic acid

  • Molecular FormulaC12H16BNO5S
  • Average mass297.135 Da
  • Monoisotopic mass297.084229 Da
  • ChemSpider ID72878918

More details:

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

{3-[(3-Methyl-1,1-dioxidotetrahydro-3-thiophenyl)carbamoyl]phenyl}boronic acid [ACD/IUPAC Name]
{3-[(3-Methyl-1,1-dioxidotetrahydro-3-thiophenyl)carbamoyl]phenyl}borsäure [German] [ACD/IUPAC Name]
Acide {3-[(3-méthyl-1,1-dioxydotétrahydro-3-thiophényl)carbamoyl]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-[[(tetrahydro-3-methyl-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.79
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.14
Polar Surface Area: 112 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 211.1±5.0 cm3

Click to predict properties on the Chemicalize site


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