ChemSpider 2D Image | (1R,2R,3R)-5-Methyl-1,2-diphenyl-3-(phenylsulfonyl)indane | C28H24O2S

(1R,2R,3R)-5-Methyl-1,2-diphenyl-3-(phenylsulfonyl)indane

  • Molecular FormulaC28H24O2S
  • Average mass424.554 Da
  • Monoisotopic mass424.149689 Da
  • ChemSpider ID75550683

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,3R)-5-Methyl-1,2-diphenyl-3-(phenylsulfonyl)indan [German] [ACD/IUPAC Name]
(1R,2R,3R)-5-Methyl-1,2-diphenyl-3-(phenylsulfonyl)indane [ACD/IUPAC Name]
(1R,2R,3R)-5-Méthyl-1,2-diphényl-3-(phénylsulfonyl)indane [French] [ACD/IUPAC Name]
1H-Indene, 2,3-dihydro-5-methyl-1,2-diphenyl-3-(phenylsulfonyl)-, (1R,2R,3R)- [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: 575.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 348.4±22.8 °C
Index of Refraction: 1.639
Molar Refractivity: 126.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24537.25
ACD/KOC (pH 5.5): 48286.16
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24537.25
ACD/KOC (pH 7.4): 48286.16
Polar Surface Area: 43 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 350.4±3.0 cm3

Click to predict properties on the Chemicalize site


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