ChemSpider 2D Image | 4-(2-Ethylhexyl)-4H-bisthieno[3,2-b:2',3'-d]pyrrole | C16H21NS2

4-(2-Ethylhexyl)-4H-bisthieno[3,2-b:2',3'-d]pyrrole

  • Molecular FormulaC16H21NS2
  • Average mass291.475 Da
  • Monoisotopic mass291.111542 Da
  • ChemSpider ID57606174

More details:

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

4-(2-Ethylhexyl)-4H-bisthieno[3,2-b:2',3'-d]pyrrol [German] [ACD/IUPAC Name]
4-(2-Ethylhexyl)-4H-bisthieno[3,2-b:2',3'-d]pyrrole [ACD/IUPAC Name]
4-(2-Éthylhexyl)-4H-bisthiéno[3,2-b:2',3'-d]pyrrole [French] [ACD/IUPAC Name]
4H-Dithieno[3,2-b:2',3'-d]pyrrole, 4-(2-ethylhexyl)- [ACD/Index Name]
7-(2-ethylhexyl)-3,11-dithia-7-azatricyclo[6.3.0.02,?]undeca-1(8),2(6),4,9-tetraene
868173-44-8 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 418.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 207.0±26.8 °C
Index of Refraction: 1.644
Molar Refractivity: 87.8±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.39
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 82005.53
ACD/KOC (pH 5.5): 114527.28
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 82005.53
ACD/KOC (pH 7.4): 114527.28
Polar Surface Area: 61 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 242.7±7.0 cm3

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