ChemSpider 2D Image | 3,4-Dichloro-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine | C6H4Cl2N4S

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

  • Molecular FormulaC6H4Cl2N4S
  • Average mass235.094 Da
  • Monoisotopic mass233.953369 Da
  • ChemSpider ID38773277

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine, 3,4-dichloro-6-(methylthio)- [ACD/Index Name]
3,4-Dichlor-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
3,4-Dichloro-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
3,4-Dichloro-6-(méthylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]
1935427-33-0 [RN]
3,4-Dichloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 482.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 245.8±31.5 °C
Index of Refraction: 1.730
Molar Refractivity: 53.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.40
ACD/KOC (pH 5.5): 217.37
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.82
ACD/KOC (pH 7.4): 29.56
Polar Surface Area: 80 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 96.3±5.0 dyne/cm
Molar Volume: 135.1±5.0 cm3

Click to predict properties on the Chemicalize site


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