ChemSpider 2D Image | 2-[(2,2-Difluoroethyl)sulfanyl]-5-methyl-6-phenyl-4(1H)-pyrimidinone | C13H12F2N2OS

2-[(2,2-Difluoroethyl)sulfanyl]-5-methyl-6-phenyl-4(1H)-pyrimidinone

  • Molecular FormulaC13H12F2N2OS
  • Average mass282.309 Da
  • Monoisotopic mass282.063843 Da
  • ChemSpider ID35178764

More details:

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

2-[(2,2-Difluorethyl)sulfanyl]-5-methyl-6-phenyl-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
2-[(2,2-Difluoroethyl)sulfanyl]-5-methyl-6-phenyl-4(1H)-pyrimidinone [ACD/IUPAC Name]
2-[(2,2-Difluoroéthyl)sulfanyl]-5-méthyl-6-phényl-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4(1H)-Pyrimidinone, 2-[(2,2-difluoroethyl)thio]-5-methyl-6-phenyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 405.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 198.8±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 71.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.11
ACD/KOC (pH 5.5): 906.65
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 30.91
ACD/KOC (pH 7.4): 291.62
Polar Surface Area: 67 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 211.1±7.0 cm3

Click to predict properties on the Chemicalize site


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