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ChemSpider 2D Image | 1-Bromo-4-{[4-(methylsulfanyl)phenyl]ethynyl}benzene | C15H11BrS

1-Bromo-4-{[4-(methylsulfanyl)phenyl]ethynyl}benzene

  • Molecular FormulaC15H11BrS
  • Average mass303.217 Da
  • Monoisotopic mass301.976471 Da
  • ChemSpider ID29334686

More details:






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

1-Brom-4-{[4-(methylsulfanyl)phenyl]ethinyl}benzol [German] [ACD/IUPAC Name]
1-Bromo-4-{[4-(methylsulfanyl)phenyl]ethynyl}benzene [ACD/IUPAC Name]
1-Bromo-4-{[4-(méthylsulfanyl)phényl]éthynyl}benzène [French] [ACD/IUPAC Name]
Benzene, 1-bromo-4-[2-[4-(methylthio)phenyl]ethynyl]- [ACD/Index Name]
2-(4-(2-(4-Bromophenyl)ethynyl)phenyl)methylthioether

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

Density: 1.4±0.1 g/cm3
Boiling Point: 401.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 196.8±24.6 °C
Index of Refraction: 1.679
Molar Refractivity: 79.1±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9439.16
ACD/KOC (pH 5.5): 24369.52
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9439.16
ACD/KOC (pH 7.4): 24369.52
Polar Surface Area: 25 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 209.5±5.0 cm3

Click to predict properties on the Chemicalize site






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