ChemSpider 2D Image | 2-Thioxo(2-~13~C,1,3-~15~N_2_)-1,2,3,7-tetrahydro-6H-purin-6-one | C413CH4N215N2OS

2-Thioxo(2-13C,1,3-15N2)-1,2,3,7-tetrahydro-6H-purin-6-one

  • Molecular FormulaC413CH4N215N2OS
  • Average mass171.156 Da
  • Monoisotopic mass171.008011 Da
  • ChemSpider ID8996896

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Thioxo(2-13C,1,3-15N2)-1,2,3,7-tetrahydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Thioxo(2-13C,1,3-15N2)-1,2,3,7-tetrahydro-6H-purin-6-one [ACD/IUPAC Name]
2-Thioxo(2-13C,1,3-15N2)-1,2,3,7-tétrahydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one-2-13C-1,3-15N2, 1,2,3,7-tetrahydro-2-thioxo- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.800
Molar Refractivity: 40.2±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 129.9±5.0 dyne/cm
Molar Volume: 94.1±5.0 cm3

Click to predict properties on the Chemicalize site


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