ChemSpider 2D Image | (1,9-~2~H_2_)-1,9-Dihydro-6H-purine-6-thione | C5H2D2N4S

(1,9-2H2)-1,9-Dihydro-6H-purine-6-thione

  • Molecular FormulaC5H2D2N4S
  • Average mass154.189 Da
  • Monoisotopic mass154.028214 Da
  • ChemSpider ID95547167

  • Non-standard isotope - Non-standard isotope

More details:

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

(1,9-2H2)-1,9-Dihydro-6H-purin-6-thion [German] [ACD/IUPAC Name]
(1,9-2H2)-1,9-Dihydro-6H-purine-6-thione [ACD/IUPAC Name]
(1,9-2H2)-1,9-Dihydro-6H-purine-6-thione [French] [ACD/IUPAC Name]
6H-Purine-6-thione, 1,9-dihydro-d2- [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: 498.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.4±26.5 °C
Index of Refraction: 1.942
Molar Refractivity: 40.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.68
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.23
Polar Surface Area: 85 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


Advertisement