ChemSpider 2D Image | 3-(1-Naphthyl)-6-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one | C22H14N2OS2

3-(1-Naphthyl)-6-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one

  • Molecular FormulaC22H14N2OS2
  • Average mass386.489 Da
  • Monoisotopic mass386.054749 Da
  • ChemSpider ID24764850

More details:






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

3-(1-Naphthyl)-6-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
3-(1-Naphthyl)-6-phenyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
3-(1-Naphtyl)-6-phényl-2-thioxo-2,3-dihydrothiéno[2,3-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(1H)-one, 2,3-dihydro-3-(1-naphthalenyl)-6-phenyl-2-thioxo- [ACD/Index Name]
3-naphthyl-6-phenyl-2-thioxo-1,3-dihydrothiopheno[2,3-d]pyrimidin-4-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 614.2±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.2±32.1 °C
Index of Refraction: 1.816
Molar Refractivity: 113.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4724.72
ACD/KOC (pH 5.5): 14849.41
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4719.14
ACD/KOC (pH 7.4): 14831.87
Polar Surface Area: 93 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 83.8±5.0 dyne/cm
Molar Volume: 262.6±5.0 cm3

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