ChemSpider 2D Image | 2-(3,5-Difluorophenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5H)-one | C13H12F2N2OS

2-(3,5-Difluorophenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5H)-one

  • Molecular FormulaC13H12F2N2OS
  • Average mass282.309 Da
  • Monoisotopic mass282.063843 Da
  • ChemSpider ID26466168

More details:

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

2-(3,5-Difluorophenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5H)-one [ACD/IUPAC Name]
2-(3,5-Difluorophényl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5H)-one [French] [ACD/IUPAC Name]
2-(3,5-Difluorphenyl)-3-thioxohexahydroimidazo[1,5-a]pyridin-1(5H)-on [German] [ACD/IUPAC Name]
Imidazo[1,5-a]pyridin-1(5H)-one, 2-(3,5-difluorophenyl)hexahydro-3-thioxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 373.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 179.8±30.7 °C
Index of Refraction: 1.650
Molar Refractivity: 70.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.64
ACD/KOC (pH 5.5): 225.90
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.64
ACD/KOC (pH 7.4): 225.90
Polar Surface Area: 56 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 192.7±5.0 cm3

Click to predict properties on the Chemicalize site


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