ChemSpider 2D Image | 3-(4-Fluorobenzyl)-2-thioxotetrahydro-4(1H)-pyrimidinone | C11H11FN2OS

3-(4-Fluorobenzyl)-2-thioxotetrahydro-4(1H)-pyrimidinone

  • Molecular FormulaC11H11FN2OS
  • Average mass238.281 Da
  • Monoisotopic mass238.057617 Da
  • ChemSpider ID21130398

More details:

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

3-(4-Fluorbenzyl)-2-thioxotetrahydro-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
3-(4-Fluorobenzyl)-2-thioxotetrahydro-4(1H)-pyrimidinone [ACD/IUPAC Name]
3-(4-Fluorobenzyl)-2-thioxotétrahydro-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
3-[(4-Fluorophenyl)methyl]tetrahydro-2-thioxo-4(1H)-pyrimidinone
4(1H)-Pyrimidinone, 3-[(4-fluorophenyl)methyl]tetrahydro-2-thioxo- [ACD/Index Name]
842140-76-5 [RN]
3-(4-Fluorobenzyl)-2-thioxotetrahydropyrimidin-4(1H)-one
3-[(4-Fluorophenyl)methyl]-2-sulfanylidenetetrahydropyrimidin-4(1H)-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 358.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 170.6±28.4 °C
Index of Refraction: 1.633
Molar Refractivity: 63.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 177.1±7.0 cm3

Click to predict properties on the Chemicalize site


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