ChemSpider 2D Image | N,N-Diethyl-2-{[6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}ethanamine | C22H29N3S2

N,N-Diethyl-2-{[6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}ethanamine

  • Molecular FormulaC22H29N3S2
  • Average mass399.616 Da
  • Monoisotopic mass399.180298 Da
  • ChemSpider ID30898873

More details:

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

Ethanamine, N,N-diethyl-2-[[6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]- [ACD/Index Name]
N,N-Diethyl-2-{[6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}ethanamin [German] [ACD/IUPAC Name]
N,N-Diethyl-2-{[6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}ethanamine [ACD/IUPAC Name]
N,N-Diéthyl-2-{[6-éthyl-5-(4-éthylphényl)thiéno[2,3-d]pyrimidin-4-yl]sulfanyl}éthanamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 547.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 284.9±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 15.45
ACD/KOC (pH 5.5): 34.28
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 222.08
ACD/KOC (pH 7.4): 492.73
Polar Surface Area: 83 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 341.6±5.0 cm3

Click to predict properties on the Chemicalize site


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