ChemSpider 2D Image | 1,1'-(3,3''-Dimethyl-2,2':5',2''-terthiene-5,5''-diyl)bis(1H-imidazole) | C20H16N4S3

1,1'-(3,3''-Dimethyl-2,2':5',2''-terthiene-5,5''-diyl)bis(1H-imidazole)

  • Molecular FormulaC20H16N4S3
  • Average mass408.563 Da
  • Monoisotopic mass408.053711 Da
  • ChemSpider ID30659383

More details:

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

1,1'-(3,3''-Dimethyl-2,2':5',2''-terthien-5,5''-diyl)bis(1H-imidazol) [German] [ACD/IUPAC Name]
1,1'-(3,3''-Dimethyl-2,2':5',2''-terthiene-5,5''-diyl)bis(1H-imidazole) [ACD/IUPAC Name]
1,1'-(3,3''-Diméthyl-2,2':5',2''-terthiène-5,5''-diyl)bis(1H-imidazole) [French] [ACD/IUPAC Name]
1H-Imidazole, 1,1'-(3,3''-dimethyl[2,2':5',2''-terthiophene]-5,5''-diyl)bis- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 614.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 325.3±31.5 °C
Index of Refraction: 1.777
Molar Refractivity: 119.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 2921.90
ACD/KOC (pH 5.5): 8962.74
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5104.51
ACD/KOC (pH 7.4): 15657.75
Polar Surface Area: 120 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 284.7±7.0 cm3

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