ChemSpider 2D Image | 2-({[1-(2,4-Difluorophenyl)propyl]sulfanyl}methyl)-5-methyl-1,3,4-oxadiazole | C13H14F2N2OS

2-({[1-(2,4-Difluorophenyl)propyl]sulfanyl}methyl)-5-methyl-1,3,4-oxadiazole

  • Molecular FormulaC13H14F2N2OS
  • Average mass284.325 Da
  • Monoisotopic mass284.079498 Da
  • ChemSpider ID30123030

More details:

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

1,3,4-Oxadiazole, 2-[[[1-(2,4-difluorophenyl)propyl]thio]methyl]-5-methyl- [ACD/Index Name]
2-({[1-(2,4-Difluorophenyl)propyl]sulfanyl}methyl)-5-methyl-1,3,4-oxadiazole [ACD/IUPAC Name]
2-({[1-(2,4-Difluorophényl)propyl]sulfanyl}méthyl)-5-méthyl-1,3,4-oxadiazole [French] [ACD/IUPAC Name]
2-({[1-(2,4-Difluorphenyl)propyl]sulfanyl}methyl)-5-methyl-1,3,4-oxadiazol [German] [ACD/IUPAC 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: 359.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 171.0±30.7 °C
Index of Refraction: 1.543
Molar Refractivity: 70.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 226.14
ACD/KOC (pH 5.5): 1686.06
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 226.14
ACD/KOC (pH 7.4): 1686.06
Polar Surface Area: 64 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 224.6±3.0 cm3

Click to predict properties on the Chemicalize site


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