ChemSpider 2D Image | 1-Methyl-4-{[2-(methylsulfanyl)-1-phenyl-2-dodecanyl]sulfonyl}benzene | C26H38O2S2

1-Methyl-4-{[2-(methylsulfanyl)-1-phenyl-2-dodecanyl]sulfonyl}benzene

  • Molecular FormulaC26H38O2S2
  • Average mass446.709 Da
  • Monoisotopic mass446.231323 Da
  • ChemSpider ID74003254

More details:






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

1-Methyl-4-{[2-(methylsulfanyl)-1-phenyl-2-dodecanyl]sulfonyl}benzene [ACD/IUPAC Name]
1-Méthyl-4-{[2-(méthylsulfanyl)-1-phényl-2-dodécanyl]sulfonyl}benzène [French] [ACD/IUPAC Name]
1-Methyl-4-{[2-(methylsulfanyl)-1-phenyl-2-dodecanyl]sulfonyl}benzol [German] [ACD/IUPAC Name]
Benzene, 1-methyl-4-[[1-(methylthio)-1-(phenylmethyl)undecyl]sulfonyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 585.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 308.1±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 133.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 9.15
ACD/LogD (pH 5.5): 9.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3523746.75
ACD/LogD (pH 7.4): 9.50
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3523746.75
Polar Surface Area: 68 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 420.3±3.0 cm3

Click to predict properties on the Chemicalize site






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