ChemSpider 2D Image | 6-{[(2-Phenyl-2H-1,2,3-triazol-4-yl)methyl]sulfanyl}-1H-purine | C14H11N7S

6-{[(2-Phenyl-2H-1,2,3-triazol-4-yl)methyl]sulfanyl}-1H-purine

  • Molecular FormulaC14H11N7S
  • Average mass309.349 Da
  • Monoisotopic mass309.079651 Da
  • ChemSpider ID30475553

More details:

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

6-{[(2-Phenyl-2H-1,2,3-triazol-4-yl)methyl]sulfanyl}-1H-purin [German] [ACD/IUPAC Name]
6-{[(2-Phenyl-2H-1,2,3-triazol-4-yl)methyl]sulfanyl}-1H-purine [ACD/IUPAC Name]
6-{[(2-Phényl-2H-1,2,3-triazol-4-yl)méthyl]sulfanyl}-1H-purine [French] [ACD/IUPAC Name]
9H-Purine, 6-[[(2-phenyl-2H-1,2,3-triazol-4-yl)methyl]thio]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.833
Molar Refractivity: 87.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.06
ACD/KOC (pH 5.5): 154.94
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.72
ACD/KOC (pH 7.4): 148.56
Polar Surface Area: 110 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 73.3±7.0 dyne/cm
Molar Volume: 197.5±7.0 cm3

Click to predict properties on the Chemicalize site


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