ChemSpider 2D Image | N-[4-(2-Thienyl)-1,3-thiazol-2-yl]-9H-purin-6-amine | C12H8N6S2

N-[4-(2-Thienyl)-1,3-thiazol-2-yl]-9H-purin-6-amine

  • Molecular FormulaC12H8N6S2
  • Average mass300.362 Da
  • Monoisotopic mass300.025177 Da
  • ChemSpider ID34734794

More details:

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

9H-Purin-6-amine, N-[4-(2-thienyl)-2-thiazolyl]- [ACD/Index Name]
N-[4-(2-Thienyl)-1,3-thiazol-2-yl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
N-[4-(2-Thienyl)-1,3-thiazol-2-yl]-9H-purin-6-amine [ACD/IUPAC Name]
N-[4-(2-Thiényl)-1,3-thiazol-2-yl]-9H-purin-6-amine [French] [ACD/IUPAC 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: 649.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.6±34.3 °C
Index of Refraction: 1.835
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 146.66
ACD/KOC (pH 5.5): 1236.29
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 146.47
ACD/KOC (pH 7.4): 1234.73
Polar Surface Area: 136 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 96.7±3.0 dyne/cm
Molar Volume: 185.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement