ChemSpider 2D Image | 2-[(Methylsulfanyl)methyl]-5-({2-[4-(trifluoromethoxy)phenyl]ethyl}sulfanyl)-1,3,4-oxadiazole | C13H13F3N2O2S2

2-[(Methylsulfanyl)methyl]-5-({2-[4-(trifluoromethoxy)phenyl]ethyl}sulfanyl)-1,3,4-oxadiazole

  • Molecular FormulaC13H13F3N2O2S2
  • Average mass350.380 Da
  • Monoisotopic mass350.037048 Da
  • ChemSpider ID65110294

More details:

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

1,3,4-Oxadiazole, 2-[(methylthio)methyl]-5-[[2-[4-(trifluoromethoxy)phenyl]ethyl]thio]- [ACD/Index Name]
2-[(Methylsulfanyl)methyl]-5-({2-[4-(trifluormethoxy)phenyl]ethyl}sulfanyl)-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
2-[(Methylsulfanyl)methyl]-5-({2-[4-(trifluoromethoxy)phenyl]ethyl}sulfanyl)-1,3,4-oxadiazole [ACD/IUPAC Name]
2-[(Méthylsulfanyl)méthyl]-5-({2-[4-(trifluorométhoxy)phényl]éthyl}sulfanyl)-1,3,4-oxadiazole [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 420.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 208.2±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 414.63
ACD/KOC (pH 5.5): 2602.09
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 414.63
ACD/KOC (pH 7.4): 2602.09
Polar Surface Area: 99 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 249.1±5.0 cm3

Click to predict properties on the Chemicalize site


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