ChemSpider 2D Image | 6,8-Dichloro-2-(methylsulfanyl)-8H-purine | C6H4Cl2N4S

6,8-Dichloro-2-(methylsulfanyl)-8H-purine

  • Molecular FormulaC6H4Cl2N4S
  • Average mass235.094 Da
  • Monoisotopic mass233.953369 Da
  • ChemSpider ID109356231

More details:

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

6,8-Dichlor-2-(methylsulfanyl)-8H-purin [German] [ACD/IUPAC Name]
6,8-Dichloro-2-(methylsulfanyl)-8H-purine [ACD/IUPAC Name]
6,8-Dichloro-2-(méthylsulfanyl)-8H-purine [French] [ACD/IUPAC Name]
8H-Purine, 6,8-dichloro-2-(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: 329.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.0±3.0 kJ/mol
Flash Point: 153.2±30.7 °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: 0.34
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.74
ACD/KOC (pH 5.5): 121.58
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.74
ACD/KOC (pH 7.4): 121.58
Polar Surface Area: 75 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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