ChemSpider 2D Image | 1,2,3-Trimethoxy-4-{(E)-2-[4-(methylsulfanyl)phenyl]vinyl}benzene | C18H20O3S

1,2,3-Trimethoxy-4-{(E)-2-[4-(methylsulfanyl)phenyl]vinyl}benzene

  • Molecular FormulaC18H20O3S
  • Average mass316.415 Da
  • Monoisotopic mass316.113312 Da
  • ChemSpider ID28513696

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2,3-Trimethoxy-4-{(E)-2-[4-(methylsulfanyl)phenyl]vinyl}benzene [ACD/IUPAC Name]
1,2,3-Triméthoxy-4-{(E)-2-[4-(méthylsulfanyl)phényl]vinyl}benzène [French] [ACD/IUPAC Name]
1,2,3-Trimethoxy-4-{(E)-2-[4-(methylsulfanyl)phenyl]vinyl}benzol [German] [ACD/IUPAC Name]
Benzene, 1,2,3-trimethoxy-4-[(E)-2-[4-(methylthio)phenyl]ethenyl]- [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: 458.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 230.8±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1151.43
ACD/KOC (pH 5.5): 5405.45
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1151.43
ACD/KOC (pH 7.4): 5405.45
Polar Surface Area: 53 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 272.5±5.0 cm3

Click to predict properties on the Chemicalize site


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