ChemSpider 2D Image | 2,2''-Dimethoxy-2'-(methylsulfanyl)-1,1':3',1''-terphenyl | C21H20O2S

2,2''-Dimethoxy-2'-(methylsulfanyl)-1,1':3',1''-terphenyl

  • Molecular FormulaC21H20O2S
  • Average mass336.447 Da
  • Monoisotopic mass336.118408 Da
  • ChemSpider ID30659318

More details:

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

1,1':3',1''-Terphenyl, 2,2''-dimethoxy-2'-(methylthio)- [ACD/Index Name]
2,2''-Dimethoxy-2'-(methylsulfanyl)-1,1':3',1''-terphenyl [German] [ACD/IUPAC Name]
2,2''-Dimethoxy-2'-(methylsulfanyl)-1,1':3',1''-terphenyl [ACD/IUPAC Name]
2,2''-Diméthoxy-2'-(méthylsulfanyl)-1,1':3',1''-terphényl [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: 429.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 213.6±28.7 °C
Index of Refraction: 1.635
Molar Refractivity: 101.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11638.01
ACD/KOC (pH 5.5): 28310.32
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11638.01
ACD/KOC (pH 7.4): 28310.32
Polar Surface Area: 44 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 283.5±5.0 cm3

Click to predict properties on the Chemicalize site


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