ChemSpider 2D Image | 3-[(5-Fluoro-2-pyrimidinyl)sulfanyl]propanoic acid | C7H7FN2O2S

3-[(5-Fluoro-2-pyrimidinyl)sulfanyl]propanoic acid

  • Molecular FormulaC7H7FN2O2S
  • Average mass202.206 Da
  • Monoisotopic mass202.021225 Da
  • ChemSpider ID51060054

More details:

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

3-[(5-Fluor-2-pyrimidinyl)sulfanyl]propansäure [German] [ACD/IUPAC Name]
3-[(5-Fluoro-2-pyrimidinyl)sulfanyl]propanoic acid [ACD/IUPAC Name]
Acide 3-[(5-fluoro-2-pyrimidinyl)sulfanyl]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(5-fluoro-2-pyrimidinyl)thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 381.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 184.3±22.3 °C
Index of Refraction: 1.578
Molar Refractivity: 46.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 138.7±5.0 cm3

Click to predict properties on the Chemicalize site


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