ChemSpider 2D Image | 3,3-Bis[(4-bromophenyl)sulfanyl]-1-methyl-2-piperidinone | C18H17Br2NOS2

3,3-Bis[(4-bromophenyl)sulfanyl]-1-methyl-2-piperidinone

  • Molecular FormulaC18H17Br2NOS2
  • Average mass487.272 Da
  • Monoisotopic mass484.911804 Da
  • ChemSpider ID30658380

More details:

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

2-Piperidinone, 3,3-bis[(4-bromophenyl)thio]-1-methyl- [ACD/Index Name]
3,3-Bis[(4-bromophenyl)sulfanyl]-1-methyl-2-piperidinone [ACD/IUPAC Name]
3,3-Bis[(4-bromophényl)sulfanyl]-1-méthyl-2-pipéridinone [French] [ACD/IUPAC Name]
3,3-Bis[(4-bromphenyl)sulfanyl]-1-methyl-2-piperidinon [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 592.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 311.9±30.1 °C
Index of Refraction: 1.714
Molar Refractivity: 112.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15441.32
ACD/KOC (pH 5.5): 34661.54
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15441.32
ACD/KOC (pH 7.4): 34661.54
Polar Surface Area: 71 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 287.0±5.0 cm3

Click to predict properties on the Chemicalize site


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