ChemSpider 2D Image | (2,8-~2~H_2_)-3,8-Dihydro-6H-purine-6-thione | C5H2D2N4S

(2,8-2H2)-3,8-Dihydro-6H-purine-6-thione

  • Molecular FormulaC5H2D2N4S
  • Average mass154.189 Da
  • Monoisotopic mass154.028214 Da
  • ChemSpider ID111127061

  • Non-standard isotope - Non-standard isotope

More details:

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

(2,8-2H2)-3,8-Dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
(2,8-2H2)-3,8-Dihydro-6H-purine-6-thione [ACD/IUPAC Name]
(2,8-2H2)-3,8-Dihydro-6H-purine-6-thione [French] [ACD/IUPAC Name]
6H-Purine-6-thione-2,8-d2, 3,8-dihydro- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 245.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.2±3.0 kJ/mol
Flash Point: 102.2±22.6 °C
Index of Refraction: 1.942
Molar Refractivity: 40.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.25
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.25
Polar Surface Area: 81 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 75.4±7.0 dyne/cm
Molar Volume: 83.4±7.0 cm3

Click to predict properties on the Chemicalize site


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