ChemSpider 2D Image | (4-{[(Cyclohexylmethyl)sulfinyl]methyl}phenyl)(1-pyrrolidinyl)methanone | C19H27NO2S

(4-{[(Cyclohexylmethyl)sulfinyl]methyl}phenyl)(1-pyrrolidinyl)methanone

  • Molecular FormulaC19H27NO2S
  • Average mass333.488 Da
  • Monoisotopic mass333.176239 Da
  • ChemSpider ID30486772

More details:






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

(4-{[(Cyclohexylmethyl)sulfinyl]methyl}phenyl)(1-pyrrolidinyl)methanon [German] [ACD/IUPAC Name]
(4-{[(Cyclohexylmethyl)sulfinyl]methyl}phenyl)(1-pyrrolidinyl)methanone [ACD/IUPAC Name]
(4-{[(Cyclohexylméthyl)sulfinyl]méthyl}phényl)(1-pyrrolidinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[[(cyclohexylmethyl)sulfinyl]methyl]phenyl]-1-pyrrolidinyl- [ACD/Index Name]
1-[4-(CYCLOHEXYLMETHANESULFINYLMETHYL)BENZOYL]PYRROLIDINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 570.8±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 299.0±28.2 °C
Index of Refraction: 1.596
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.99
ACD/KOC (pH 5.5): 682.98
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.99
ACD/KOC (pH 7.4): 682.98
Polar Surface Area: 57 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 281.6±3.0 cm3

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