ChemSpider 2D Image | 1,4-Dimethoxy-2-[(2-methyl-2-propen-1-yl)sulfanyl]-5-[(E)-2-nitrovinyl]benzene | C14H17NO4S

1,4-Dimethoxy-2-[(2-methyl-2-propen-1-yl)sulfanyl]-5-[(E)-2-nitrovinyl]benzene

  • Molecular FormulaC14H17NO4S
  • Average mass295.354 Da
  • Monoisotopic mass295.087830 Da
  • ChemSpider ID28554508

  • Double-bond stereo - Double-bond stereo

More details:

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

1,4-Dimethoxy-2-[(2-methyl-2-propen-1-yl)sulfanyl]-5-[(E)-2-nitrovinyl]benzene [ACD/IUPAC Name]
1,4-Diméthoxy-2-[(2-méthyl-2-propén-1-yl)sulfanyl]-5-[(E)-2-nitrovinyl]benzène [French] [ACD/IUPAC Name]
1,4-Dimethoxy-2-[(2-methyl-2-propen-1-yl)sulfanyl]-5-[(E)-2-nitrovinyl]benzol [German] [ACD/IUPAC Name]
Benzene, 1,4-dimethoxy-2-[(2-methyl-2-propen-1-yl)thio]-5-[(E)-2-nitroethenyl]- [ACD/Index Name]
648957-15-7 [RN]
BENZENE, 1,4-DIMETHOXY-2-[(2-METHYL-2-PROPENYL)THIO]-5-(2-NITROETHENYL)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 432.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 215.1±28.7 °C
Index of Refraction: 1.568
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 485.74
ACD/KOC (pH 5.5): 2914.30
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 485.74
ACD/KOC (pH 7.4): 2914.30
Polar Surface Area: 90 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 247.0±5.0 cm3

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