ChemSpider 2D Image | 6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl](7-~2~H)-7H-purine | C9H6DN7O2S

6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl](7-2H)-7H-purine

  • Molecular FormulaC9H6DN7O2S
  • Average mass278.269 Da
  • Monoisotopic mass278.044464 Da
  • ChemSpider ID95697549

  • Non-standard isotope - Non-standard isotope

More details:

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

6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl](7-2H)-7H-purin [German] [ACD/IUPAC Name]
6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl](7-2H)-7H-purine [ACD/IUPAC Name]
6-[(1-Méthyl-4-nitro-1H-imidazol-5-yl)sulfanyl](7-2H)-7H-purine [French] [ACD/IUPAC Name]
7H-Purine-7-d, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- [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: 685.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 368.5±31.5 °C
Index of Refraction: 1.924
Molar Refractivity: 68.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.17
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.47
Polar Surface Area: 143 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 98.4±7.0 dyne/cm
Molar Volume: 145.4±7.0 cm3

Click to predict properties on the Chemicalize site


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