ChemSpider 2D Image | 2,3,6-Trimethylphenyl 1-[(5-bromo-2-thienyl)sulfonyl]-4-piperidinecarboxylate | C19H22BrNO4S2

2,3,6-Trimethylphenyl 1-[(5-bromo-2-thienyl)sulfonyl]-4-piperidinecarboxylate

  • Molecular FormulaC19H22BrNO4S2
  • Average mass472.416 Da
  • Monoisotopic mass471.017365 Da
  • ChemSpider ID22022085

More details:

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

1-[(5-Bromo-2-thiényl)sulfonyl]-4-pipéridinecarboxylate de 2,3,6-triméthylphényle [French] [ACD/IUPAC Name]
2,3,6-Trimethylphenyl 1-[(5-bromo-2-thienyl)sulfonyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
2,3,6-Trimethylphenyl-1-[(5-brom-2-thienyl)sulfonyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(5-bromo-2-thienyl)sulfonyl]-, 2,3,6-trimethylphenyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 566.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.6±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 111.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2703.93
ACD/KOC (pH 5.5): 9959.04
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2703.93
ACD/KOC (pH 7.4): 9959.04
Polar Surface Area: 100 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 322.4±3.0 cm3

Click to predict properties on the Chemicalize site


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