ChemSpider 2D Image | 2-(4-Butoxyphenyl)-4-(cinnamylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine | C30H32N2O2S2

2-(4-Butoxyphenyl)-4-(cinnamylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine

  • Molecular FormulaC30H32N2O2S2
  • Average mass516.717 Da
  • Monoisotopic mass516.190491 Da
  • ChemSpider ID2854708

More details:

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

2-(4-Butoxyphenyl)-4-(cinnamylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
2-(4-Butoxyphenyl)-4-(cinnamylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine [ACD/IUPAC Name]
2-(4-Butoxyphényl)-4-(cinnamylsulfanyl)-6,6-diméthyl-5,8-dihydro-6H-pyrano[4',3':4,5]thiéno[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
6H-Pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 2-(4-butoxyphenyl)-5,8-dihydro-6,6-dimethyl-4-[(3-phenyl-2-propen-1-yl)thio]- [ACD/Index 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: 614.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 325.6±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.68
ACD/LogD (pH 5.5): 7.82
ACD/BCF (pH 5.5): 514480.66
ACD/KOC (pH 5.5): 426347.38
ACD/LogD (pH 7.4): 7.82
ACD/BCF (pH 7.4): 514504.94
ACD/KOC (pH 7.4): 426367.50
Polar Surface Area: 98 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 412.5±5.0 cm3

Click to predict properties on the Chemicalize site


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