ChemSpider 2D Image | 6-(Cyclohexylmethyl)-2-(cyclohexylsulfanyl)-5-isopropyl-4(1H)-pyrimidinone | C20H32N2OS

6-(Cyclohexylmethyl)-2-(cyclohexylsulfanyl)-5-isopropyl-4(1H)-pyrimidinone

  • Molecular FormulaC20H32N2OS
  • Average mass348.546 Da
  • Monoisotopic mass348.223541 Da
  • ChemSpider ID24740593

More details:

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

4(1H)-Pyrimidinone, 6-(cyclohexylmethyl)-2-(cyclohexylthio)-5-(1-methylethyl)- [ACD/Index Name]
6-(Cyclohexylmethyl)-2-(cyclohexylsulfanyl)-5-isopropyl-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
6-(Cyclohexylmethyl)-2-(cyclohexylsulfanyl)-5-isopropyl-4(1H)-pyrimidinone [ACD/IUPAC Name]
6-(Cyclohexylméthyl)-2-(cyclohexylsulfanyl)-5-isopropyl-4(1H)-pyrimidinone [French] [ACD/IUPAC 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: 475.6±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.4±24.0 °C
Index of Refraction: 1.621
Molar Refractivity: 101.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 22952.09
ACD/KOC (pH 5.5): 45915.28
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 13576.32
ACD/KOC (pH 7.4): 27159.21
Polar Surface Area: 67 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 288.4±7.0 cm3

Click to predict properties on the Chemicalize site


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