ChemSpider 2D Image | {4-[(2-Methylphenyl)sulfanyl]-1-piperidinyl}(2-methyltetrahydro-2H-pyran-2-yl)methanone | C19H27NO2S

{4-[(2-Methylphenyl)sulfanyl]-1-piperidinyl}(2-methyltetrahydro-2H-pyran-2-yl)methanone

  • Molecular FormulaC19H27NO2S
  • Average mass333.488 Da
  • Monoisotopic mass333.176239 Da
  • ChemSpider ID52572016

More details:






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

{4-[(2-Methylphenyl)sulfanyl]-1-piperidinyl}(2-methyltetrahydro-2H-pyran-2-yl)methanon [German] [ACD/IUPAC Name]
{4-[(2-Methylphenyl)sulfanyl]-1-piperidinyl}(2-methyltetrahydro-2H-pyran-2-yl)methanone [ACD/IUPAC Name]
{4-[(2-Méthylphényl)sulfanyl]-1-pipéridinyl}(2-méthyltétrahydro-2H-pyran-2-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[(2-methylphenyl)thio]-1-piperidinyl](tetrahydro-2-methyl-2H-pyran-2-yl)- [ACD/Index Name]
1-(2-METHYLOXANE-2-CARBONYL)-4-[(2-METHYLPHENYL)SULFANYL]PIPERIDINE
4-[(2-methylphenyl)thio]-1-[(2-methyltetrahydro-2H-pyran-2-yl)carbonyl]piperidine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 492.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.4±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 480.53
ACD/KOC (pH 5.5): 2891.89
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 480.53
ACD/KOC (pH 7.4): 2891.89
Polar Surface Area: 55 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 289.5±5.0 cm3

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