ChemSpider 2D Image | 2-[(3,4-Difluorobenzyl)sulfanyl]-6-ethyl-4(3H)-pyrimidinone | C13H12F2N2OS

2-[(3,4-Difluorobenzyl)sulfanyl]-6-ethyl-4(3H)-pyrimidinone

  • Molecular FormulaC13H12F2N2OS
  • Average mass282.309 Da
  • Monoisotopic mass282.063843 Da
  • ChemSpider ID35198037

More details:

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

2-[(3,4-Difluorbenzyl)sulfanyl]-6-ethyl-4(3H)-pyrimidinon [German] [ACD/IUPAC Name]
2-[(3,4-Difluorobenzyl)sulfanyl]-6-ethyl-4(3H)-pyrimidinone [ACD/IUPAC Name]
2-[(3,4-Difluorobenzyl)sulfanyl]-6-éthyl-4(3H)-pyrimidinone [French] [ACD/IUPAC Name]
4(3H)-Pyrimidinone, 2-[[(3,4-difluorophenyl)methyl]thio]-6-ethyl- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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: 3.17
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.74
ACD/KOC (pH 5.5): 841.14
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 64.48
ACD/KOC (pH 7.4): 632.57
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


Advertisement