ChemSpider 2D Image | 3-(Methylsulfonyl)-4H-pyrazolo[3,4-d]pyrimidin-4-one | C6H4N4O3S

3-(Methylsulfonyl)-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC6H4N4O3S
  • Average mass212.186 Da
  • Monoisotopic mass212.000412 Da
  • ChemSpider ID60997635

More details:

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

3-(Methylsulfonyl)-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-(Methylsulfonyl)-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
3-(Méthylsulfonyl)-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 3-(methylsulfonyl)- [ACD/Index Name]
130224-52-1 [RN]
1822730-58-4 [RN]
MFCD27995103
MFCD28159988

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

Density: 2.0±0.1 g/cm3
Boiling Point: 414.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 204.3±31.5 °C
Index of Refraction: 1.840
Molar Refractivity: 47.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.46
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.30
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.30
Polar Surface Area: 109 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 93.2±7.0 dyne/cm
Molar Volume: 107.7±7.0 cm3

Click to predict properties on the Chemicalize site


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