ChemSpider 2D Image | (2-Fluorophenyl)[2-(methylsulfanyl)-4-pyrimidinyl]methanone | C12H9FN2OS

(2-Fluorophenyl)[2-(methylsulfanyl)-4-pyrimidinyl]methanone

  • Molecular FormulaC12H9FN2OS
  • Average mass248.276 Da
  • Monoisotopic mass248.041962 Da
  • ChemSpider ID28557815

More details:

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

(2-Fluorophenyl)[2-(methylsulfanyl)-4-pyrimidinyl]methanone [ACD/IUPAC Name]
(2-Fluorophényl)[2-(méthylsulfanyl)-4-pyrimidinyl]méthanone [French] [ACD/IUPAC Name]
(2-Fluorphenyl)[2-(methylsulfanyl)-4-pyrimidinyl]methanon [German] [ACD/IUPAC Name]
Methanone, (2-fluorophenyl)[2-(methylthio)-4-pyrimidinyl]- [ACD/Index Name]
(2-Fluorophenyl)[2-(methylsulfanyl)pyrimidin-4-yl]methanone
918870-24-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 423.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 210.1±23.2 °C
Index of Refraction: 1.617
Molar Refractivity: 64.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 32.96
ACD/KOC (pH 5.5): 424.76
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 32.96
ACD/KOC (pH 7.4): 424.76
Polar Surface Area: 68 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 184.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement