ChemSpider 2D Image | N-[3,5-Bis(trifluoromethyl)phenyl]-5-(methoxymethyl)-1,3,4-thiadiazol-2-amine | C12H9F6N3OS

N-[3,5-Bis(trifluoromethyl)phenyl]-5-(methoxymethyl)-1,3,4-thiadiazol-2-amine

  • Molecular FormulaC12H9F6N3OS
  • Average mass357.275 Da
  • Monoisotopic mass357.037048 Da
  • ChemSpider ID67829219

More details:






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

1,3,4-Thiadiazol-2-amine, N-[3,5-bis(trifluoromethyl)phenyl]-5-(methoxymethyl)- [ACD/Index Name]
N-[3,5-Bis(trifluormethyl)phenyl]-5-(methoxymethyl)-1,3,4-thiadiazol-2-amin [German] [ACD/IUPAC Name]
N-[3,5-Bis(trifluoromethyl)phenyl]-5-(methoxymethyl)-1,3,4-thiadiazol-2-amine [ACD/IUPAC Name]
N-[3,5-Bis(trifluorométhyl)phényl]-5-(méthoxyméthyl)-1,3,4-thiadiazol-2-amine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 329.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 152.8±30.7 °C
Index of Refraction: 1.513
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 486.46
ACD/KOC (pH 5.5): 2917.33
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 486.49
ACD/KOC (pH 7.4): 2917.51
Polar Surface Area: 75 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 237.6±3.0 cm3

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