ChemSpider 2D Image | Methyl [(6-fluoro-4-pyrimidinyl)sulfanyl]acetate | C7H7FN2O2S

Methyl [(6-fluoro-4-pyrimidinyl)sulfanyl]acetate

  • Molecular FormulaC7H7FN2O2S
  • Average mass202.206 Da
  • Monoisotopic mass202.021225 Da
  • ChemSpider ID42054332

More details:

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

[(6-Fluoro-4-pyrimidinyl)sulfanyl]acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[(6-fluoro-4-pyrimidinyl)thio]-, methyl ester [ACD/Index Name]
Methyl [(6-fluoro-4-pyrimidinyl)sulfanyl]acetate [ACD/IUPAC Name]
Methyl-[(6-fluor-4-pyrimidinyl)sulfanyl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 288.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.8±3.0 kJ/mol
Flash Point: 128.3±25.9 °C
Index of Refraction: 1.539
Molar Refractivity: 46.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.30
ACD/KOC (pH 5.5): 42.12
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 42.12
Polar Surface Area: 77 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 147.4±5.0 cm3

Click to predict properties on the Chemicalize site


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