ChemSpider 2D Image | N-(3-{[(2-Methyl-2-propanyl)sulfinyl]methyl}phenyl)cyclohexanecarboxamide | C18H27NO2S

N-(3-{[(2-Methyl-2-propanyl)sulfinyl]methyl}phenyl)cyclohexanecarboxamide

  • Molecular FormulaC18H27NO2S
  • Average mass321.478 Da
  • Monoisotopic mass321.176239 Da
  • ChemSpider ID30225025

More details:

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

Cyclohexanecarboxamide, N-[3-[[(1,1-dimethylethyl)sulfinyl]methyl]phenyl]- [ACD/Index Name]
N-(3-{[(2-Methyl-2-propanyl)sulfinyl]methyl}phenyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-(3-{[(2-Methyl-2-propanyl)sulfinyl]methyl}phenyl)cyclohexanecarboxamide [ACD/IUPAC Name]
N-(3-{[(2-Méthyl-2-propanyl)sulfinyl]méthyl}phényl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]
N-{3-[(2-METHYLPROPANE-2-SULFINYL)METHYL]PHENYL}CYCLOHEXANECARBOXAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.7±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.5±28.2 °C
Index of Refraction: 1.592
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.50
ACD/KOC (pH 5.5): 896.01
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.50
ACD/KOC (pH 7.4): 896.01
Polar Surface Area: 65 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 276.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement