ChemSpider 2D Image | 4-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-6-ol | C6H6N4OS

4-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-6-ol

  • Molecular FormulaC6H6N4OS
  • Average mass182.203 Da
  • Monoisotopic mass182.026230 Da
  • ChemSpider ID24582397

More details:

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

1,5-dihydro-4-(methylthio)-6H-Pyrazolo[3,4-d]pyrimidin-6-one
100047-41-4 [RN]
1H-Pyrazolo[3,4-d]pyrimidin-6-ol, 4-(methylthio)- [ACD/Index Name]
4-(Methylsulfanyl)-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-on [German] [ACD/IUPAC Name]
4-(Methylsulfanyl)-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one [ACD/IUPAC Name]
4-(Méthylsulfanyl)-1,5-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one [French] [ACD/IUPAC Name]
4-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-6-ol
1,5-Dihydro-4-(methyl-thio)-6H-pyrazolo[3,4-d]pyrimidin-6-one
4-(Methylsulfanyl)-1,2-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one
4-(METHYLSULFANYL)-1H,2H-PYRAZOLO[3,4-D]PYRIMIDIN-6-ONE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 554.5±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 289.2±30.9 °C
Index of Refraction: 1.772
Molar Refractivity: 45.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.40
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.35
Polar Surface Area: 100 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 120.1±5.0 dyne/cm
Molar Volume: 110.0±5.0 cm3

Click to predict properties on the Chemicalize site


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