ChemSpider 2D Image | 1-[3-Fluoro-4-(methylsulfinyl)phenyl]-3-[(2-methyltetrahydro-2-thiophenyl)methyl]urea | C14H19FN2O2S2

1-[3-Fluoro-4-(methylsulfinyl)phenyl]-3-[(2-methyltetrahydro-2-thiophenyl)methyl]urea

  • Molecular FormulaC14H19FN2O2S2
  • Average mass330.441 Da
  • Monoisotopic mass330.087189 Da
  • ChemSpider ID30297858

More details:

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

1-[3-Fluor-4-(methylsulfinyl)phenyl]-3-[(2-methyltetrahydro-2-thiophenyl)methyl]harnstoff [German] [ACD/IUPAC Name]
1-[3-Fluoro-4-(methylsulfinyl)phenyl]-3-[(2-methyltetrahydro-2-thiophenyl)methyl]urea [ACD/IUPAC Name]
1-[3-Fluoro-4-(méthylsulfinyl)phényl]-3-[(2-méthyltétrahydro-2-thiophényl)méthyl]urée [French] [ACD/IUPAC Name]
Urea, N-[3-fluoro-4-(methylsulfinyl)phenyl]-N'-[(tetrahydro-2-methyl-2-thienyl)methyl]- [ACD/Index Name]
1-(3-FLUORO-4-METHANESULFINYLPHENYL)-3-[(2-METHYLTHIOLAN-2-YL)METHYL]UREA

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

Density: 1.4±0.1 g/cm3
Boiling Point: 480.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 244.5±28.7 °C
Index of Refraction: 1.625
Molar Refractivity: 86.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 43.11
ACD/KOC (pH 5.5): 514.80
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.11
ACD/KOC (pH 7.4): 514.79
Polar Surface Area: 103 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 243.9±5.0 cm3

Click to predict properties on the Chemicalize site


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