ChemSpider 2D Image | 2,2'-(3,4-Dibutoxy-2,3-dihydrothiene-2,5-diyl)bis[5-(3-methylphenyl)-1,3,4-oxadiazole] | C30H34N4O4S

2,2'-(3,4-Dibutoxy-2,3-dihydrothiene-2,5-diyl)bis[5-(3-methylphenyl)-1,3,4-oxadiazole]

  • Molecular FormulaC30H34N4O4S
  • Average mass546.680 Da
  • Monoisotopic mass546.230103 Da
  • ChemSpider ID24741826

More details:

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

1,3,4-Oxadiazole, 2,2'-(3,4-dibutoxy-2,3-dihydro-2,5-thienediyl)bis[5-(3-methylphenyl)- [ACD/Index Name]
2,2'-(3,4-Dibutoxy-2,3-dihydrothien-2,5-diyl)bis[5-(3-methylphenyl)-1,3,4-oxadiazol] [German] [ACD/IUPAC Name]
2,2'-(3,4-Dibutoxy-2,3-dihydrothiene-2,5-diyl)bis[5-(3-methylphenyl)-1,3,4-oxadiazole] [ACD/IUPAC Name]
2,2'-(3,4-Dibutoxy-2,3-dihydrothiène-2,5-diyl)bis[5-(3-méthylphényl)-1,3,4-oxadiazole] [French] [ACD/IUPAC 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: 730.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 395.3±35.7 °C
Index of Refraction: 1.616
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.04
ACD/LogD (pH 5.5): 6.97
ACD/BCF (pH 5.5): 115629.81
ACD/KOC (pH 5.5): 146461.61
ACD/LogD (pH 7.4): 6.97
ACD/BCF (pH 7.4): 115629.81
ACD/KOC (pH 7.4): 146461.61
Polar Surface Area: 122 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 431.4±5.0 cm3

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