ChemSpider 2D Image | 2-{[5-(3,4-Dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylethanamine | C22H29N3S2

2-{[5-(3,4-Dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylethanamine

  • Molecular FormulaC22H29N3S2
  • Average mass399.616 Da
  • Monoisotopic mass399.180298 Da
  • ChemSpider ID30898843

More details:

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

2-{[5-(3,4-Dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylethanamin [German] [ACD/IUPAC Name]
2-{[5-(3,4-Dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylethanamine [ACD/IUPAC Name]
2-{[5-(3,4-Diméthylphényl)-6-éthylthiéno[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diéthyléthanamine [French] [ACD/IUPAC Name]
Ethanamine, 2-[[5-(3,4-dimethylphenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]thio]-N,N-diethyl- [ACD/Index 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: 547.6±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: 285.0±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.02
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 15.60
ACD/KOC (pH 5.5): 34.50
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 223.43
ACD/KOC (pH 7.4): 494.24
Polar Surface Area: 83 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 341.1±5.0 cm3

Click to predict properties on the Chemicalize site


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