ChemSpider 2D Image | 3-(2-Phenylethyl)-2-thioxotetrahydro-4(1H)-pyrimidinone | C12H14N2OS

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

  • Molecular FormulaC12H14N2OS
  • Average mass234.317 Da
  • Monoisotopic mass234.082687 Da
  • ChemSpider ID21130596

More details:

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

3-(2-Phenylethyl)-2-thioxotetrahydro-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
3-(2-Phenylethyl)-2-thioxotetrahydro-4(1H)-pyrimidinone [ACD/IUPAC Name]
3-(2-Phényléthyl)-2-thioxotétrahydro-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4(1H)-Pyrimidinone, tetrahydro-3-(2-phenylethyl)-2-thioxo- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 369.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 177.4±25.9 °C
Index of Refraction: 1.633
Molar Refractivity: 67.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 46.4±7.0 dyne/cm
Molar Volume: 190.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement