ChemSpider 2D Image | (2E)-2-(2-Bromo-5-methoxyphenyl)-3-(1-methyl-1H-indol-3-yl)-3-(methylsulfanyl)acrylonitrile | C20H17BrN2OS

(2E)-2-(2-Bromo-5-methoxyphenyl)-3-(1-methyl-1H-indol-3-yl)-3-(methylsulfanyl)acrylonitrile

  • Molecular FormulaC20H17BrN2OS
  • Average mass413.331 Da
  • Monoisotopic mass412.024475 Da
  • ChemSpider ID30658992

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(2-Brom-5-methoxyphenyl)-3-(1-methyl-1H-indol-3-yl)-3-(methylsulfanyl)acrylonitril [German] [ACD/IUPAC Name]
(2E)-2-(2-Bromo-5-methoxyphenyl)-3-(1-methyl-1H-indol-3-yl)-3-(methylsulfanyl)acrylonitrile [ACD/IUPAC Name]
(2E)-2-(2-Bromo-5-méthoxyphényl)-3-(1-méthyl-1H-indol-3-yl)-3-(méthylsulfanyl)acrylonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 2-bromo-5-methoxy-α-[(1-methyl-1H-indol-3-yl)(methylthio)methylene]-, (αE)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 559.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.1±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 109.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10009.22
ACD/KOC (pH 5.5): 25414.18
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10009.22
ACD/KOC (pH 7.4): 25414.18
Polar Surface Area: 63 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 307.5±7.0 cm3

Click to predict properties on the Chemicalize site


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