ChemSpider 2D Image | 4,6-Bis(methylsulfanyl)-1-(4-phenoxybutyl)-1H-pyrazolo[3,4-d]pyrimidine | C17H20N4OS2

4,6-Bis(methylsulfanyl)-1-(4-phenoxybutyl)-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC17H20N4OS2
  • Average mass360.497 Da
  • Monoisotopic mass360.107849 Da
  • ChemSpider ID21107506

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine, 4,6-bis(methylthio)-1-(4-phenoxybutyl)- [ACD/Index Name]
4,6-Bis(methylsulfanyl)-1-(4-phenoxybutyl)-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
4,6-Bis(methylsulfanyl)-1-(4-phenoxybutyl)-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
4,6-Bis(méthylsulfanyl)-1-(4-phénoxybutyl)-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
633700-93-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 579.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 304.5±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 103.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 619.66
ACD/KOC (pH 5.5): 3468.83
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 619.86
ACD/KOC (pH 7.4): 3469.98
Polar Surface Area: 103 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 279.4±7.0 cm3

Click to predict properties on the Chemicalize site


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