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

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

  • Molecular FormulaC6H4Cl2N4S
  • Average mass235.094 Da
  • Monoisotopic mass233.953369 Da
  • ChemSpider ID109643745

More details:

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

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

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

Density: 1.9±0.1 g/cm3
Boiling Point: 334.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 156.2±27.9 °C
Index of Refraction: 1.831
Molar Refractivity: 54.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.92
ACD/KOC (pH 5.5): 377.19
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.92
ACD/KOC (pH 7.4): 377.19
Polar Surface Area: 76 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 69.0±7.0 dyne/cm
Molar Volume: 123.2±7.0 cm3

Click to predict properties on the Chemicalize site


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