ChemSpider 2D Image | 1-Methyl-3,3-bis[(4-methylphenyl)sulfanyl]-2-piperidinone | C20H23NOS2

1-Methyl-3,3-bis[(4-methylphenyl)sulfanyl]-2-piperidinone

  • Molecular FormulaC20H23NOS2
  • Average mass357.533 Da
  • Monoisotopic mass357.122101 Da
  • ChemSpider ID30657036

More details:

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

1-Methyl-3,3-bis[(4-methylphenyl)sulfanyl]-2-piperidinon [German] [ACD/IUPAC Name]
1-Methyl-3,3-bis[(4-methylphenyl)sulfanyl]-2-piperidinone [ACD/IUPAC Name]
1-Méthyl-3,3-bis[(4-méthylphényl)sulfanyl]-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 1-methyl-3,3-bis[(4-methylphenyl)thio]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 534.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.0±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3687.19
ACD/KOC (pH 5.5): 12434.69
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3687.19
ACD/KOC (pH 7.4): 12434.69
Polar Surface Area: 71 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 293.0±5.0 cm3

Click to predict properties on the Chemicalize site


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