ChemSpider 2D Image | 6-(5-Nitro-2-thienyl)-2-sulfanyl-4-pyrimidinol | C8H5N3O3S2

6-(5-Nitro-2-thienyl)-2-sulfanyl-4-pyrimidinol

  • Molecular FormulaC8H5N3O3S2
  • Average mass255.274 Da
  • Monoisotopic mass254.977234 Da
  • ChemSpider ID110473784

More details:

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

4-Pyrimidinol, 2-mercapto-6-(5-nitro-2-thienyl)- [ACD/Index Name]
6-(5-Nitro-2-thienyl)-2-sulfanyl-4-pyrimidinol [German] [ACD/IUPAC Name]
6-(5-Nitro-2-thienyl)-2-sulfanyl-4-pyrimidinol [ACD/IUPAC Name]
6-(5-Nitro-2-thiényl)-2-sulfanyl-4-pyrimidinol [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 553.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 288.3±32.9 °C
Index of Refraction: 1.742
Molar Refractivity: 62.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 88.6±3.0 dyne/cm
Molar Volume: 153.5±3.0 cm3

Click to predict properties on the Chemicalize site


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