ChemSpider 2D Image | 2,6-Dichloro-7-methyl-7H-purine-8-thiol | C6H4Cl2N4S

2,6-Dichloro-7-methyl-7H-purine-8-thiol

  • Molecular FormulaC6H4Cl2N4S
  • Average mass235.094 Da
  • Monoisotopic mass233.953369 Da
  • ChemSpider ID60969574

More details:

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

2,6-Dichlor-7-methyl-7H-purin-8-thiol [German] [ACD/IUPAC Name]
2,6-Dichloro-7-methyl-7H-purine-8-thiol [ACD/IUPAC Name]
2,6-Dichloro-7-méthyl-7H-purine-8-thiol [French] [ACD/IUPAC Name]
7H-Purine-8-thiol, 2,6-dichloro-7-methyl- [ACD/Index Name]
127794-15-4 [RN]
MFCD28011405

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

Density: 1.9±0.1 g/cm3
Boiling Point: 318.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.9±3.0 kJ/mol
Flash Point: 146.1±30.7 °C
Index of Refraction: 1.837
Molar Refractivity: 54.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 63.6±7.0 dyne/cm
Molar Volume: 123.5±7.0 cm3

Click to predict properties on the Chemicalize site


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