ChemSpider 2D Image | 4-Chloro-6-{[2-(methylsulfonyl)ethyl]sulfanyl}-5-nitropyrimidine | C7H8ClN3O4S2

4-Chloro-6-{[2-(methylsulfonyl)ethyl]sulfanyl}-5-nitropyrimidine

  • Molecular FormulaC7H8ClN3O4S2
  • Average mass297.739 Da
  • Monoisotopic mass296.964478 Da
  • ChemSpider ID43675492

More details:

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

4-Chlor-6-{[2-(methylsulfonyl)ethyl]sulfanyl}-5-nitropyrimidin [German] [ACD/IUPAC Name]
4-Chloro-6-{[2-(methylsulfonyl)ethyl]sulfanyl}-5-nitropyrimidine [ACD/IUPAC Name]
4-Chloro-6-{[2-(méthylsulfonyl)éthyl]sulfanyl}-5-nitropyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-chloro-6-[[2-(methylsulfonyl)ethyl]thio]-5-nitro- [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: 537.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 278.5±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 63.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.70
ACD/KOC (pH 5.5): 70.89
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.70
ACD/KOC (pH 7.4): 70.89
Polar Surface Area: 139 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 78.4±5.0 dyne/cm
Molar Volume: 181.9±5.0 cm3

Click to predict properties on the Chemicalize site


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