ChemSpider 2D Image | 2-(4-Ethoxyphenyl)-1-(2-{[(2-methyl-2-propanyl)sulfanyl]methyl}-1-piperidinyl)ethanone | C20H31NO2S

2-(4-Ethoxyphenyl)-1-(2-{[(2-methyl-2-propanyl)sulfanyl]methyl}-1-piperidinyl)ethanone

  • Molecular FormulaC20H31NO2S
  • Average mass349.531 Da
  • Monoisotopic mass349.207550 Da
  • ChemSpider ID57827672

More details:

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

2-(4-Ethoxyphenyl)-1-(2-{[(2-methyl-2-propanyl)sulfanyl]methyl}-1-piperidinyl)ethanon [German] [ACD/IUPAC Name]
2-(4-Ethoxyphenyl)-1-(2-{[(2-methyl-2-propanyl)sulfanyl]methyl}-1-piperidinyl)ethanone [ACD/IUPAC Name]
2-(4-Éthoxyphényl)-1-(2-{[(2-méthyl-2-propanyl)sulfanyl]méthyl}-1-pipéridinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2-[[(1,1-dimethylethyl)thio]methyl]-1-piperidinyl]-2-(4-ethoxyphenyl)- [ACD/Index Name]
1-(2-((tert-butylthio)methyl)piperidin-1-yl)-2-(4-ethoxyphenyl)ethanone
1-{2-[(tert-butylsulfanyl)methyl]piperidin-1-yl}-2-(4-ethoxyphenyl)ethan-1-one
2034536-46-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 502.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.6±24.6 °C
Index of Refraction: 1.533
Molar Refractivity: 102.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3088.93
ACD/KOC (pH 5.5): 10954.67
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3088.93
ACD/KOC (pH 7.4): 10954.67
Polar Surface Area: 55 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 331.1±3.0 cm3

Click to predict properties on the Chemicalize site


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