ChemSpider 2D Image | 1-(Allylsulfanyl)-2,5-dimethoxy-4-[(E)-2-nitrovinyl]benzene | C13H15NO4S

1-(Allylsulfanyl)-2,5-dimethoxy-4-[(E)-2-nitrovinyl]benzene

  • Molecular FormulaC13H15NO4S
  • Average mass281.328 Da
  • Monoisotopic mass281.072174 Da
  • ChemSpider ID28576861

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(Allylsulfanyl)-2,5-dimethoxy-4-[(E)-2-nitrovinyl]benzene [ACD/IUPAC Name]
1-(Allylsulfanyl)-2,5-diméthoxy-4-[(E)-2-nitrovinyl]benzène [French] [ACD/IUPAC Name]
1-(Allylsulfanyl)-2,5-dimethoxy-4-[(E)-2-nitrovinyl]benzol [German] [ACD/IUPAC Name]
Benzene, 1,4-dimethoxy-2-[(E)-2-nitroethenyl]-5-(2-propen-1-ylthio)- [ACD/Index Name]
648957-18-0 [RN]
BENZENE, 1,4-DIMETHOXY-2-(2-NITROETHENYL)-5-(2-PROPENYLTHIO)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 420.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 208.3±28.7 °C
Index of Refraction: 1.576
Molar Refractivity: 76.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.77
ACD/KOC (pH 5.5): 1487.16
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.77
ACD/KOC (pH 7.4): 1487.16
Polar Surface Area: 90 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 230.9±5.0 cm3

Click to predict properties on the Chemicalize site


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