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Search term: 1105009-46-8 (Found by synonym)
ChemSpider 2D Image | 4'-(5-Ethynyl-2-thienyl)-2,2':6',2''-terpyridine | C21H13N3S

4'-(5-Ethynyl-2-thienyl)-2,2':6',2''-terpyridine

  • Molecular FormulaC21H13N3S
  • Average mass339.413 Da
  • Monoisotopic mass339.083008 Da
  • ChemSpider ID35519001

More details:

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

2,2':6',2''-Terpyridine, 4'-(5-ethynyl-2-thienyl)- [ACD/Index Name]
4'-(5-Ethinyl-2-thienyl)-2,2':6',2''-terpyridin [German] [ACD/IUPAC Name]
4'-(5-Ethynyl-2-thienyl)-2,2':6',2''-terpyridine [ACD/IUPAC Name]
4'-(5-Éthynyl-2-thiényl)-2,2':6',2''-terpyridine [French] [ACD/IUPAC Name]
1105009-46-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 511.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 241.6±20.5 °C
Index of Refraction: 1.710
Molar Refractivity: 99.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1269.86
ACD/KOC (pH 5.5): 5678.06
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1365.35
ACD/KOC (pH 7.4): 6105.06
Polar Surface Area: 67 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 254.6±5.0 cm3

Click to predict properties on the Chemicalize site


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