ChemSpider 2D Image | 5-(Difluoromethyl)-N-(3,4,5-trimethoxybenzyl)-1,3,4-thiadiazol-2-amine | C13H15F2N3O3S

5-(Difluoromethyl)-N-(3,4,5-trimethoxybenzyl)-1,3,4-thiadiazol-2-amine

  • Molecular FormulaC13H15F2N3O3S
  • Average mass331.338 Da
  • Monoisotopic mass331.080231 Da
  • ChemSpider ID30412927

More details:

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

1,3,4-Thiadiazol-2-amine, 5-(difluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]- [ACD/Index Name]
5-(Difluormethyl)-N-(3,4,5-trimethoxybenzyl)-1,3,4-thiadiazol-2-amin [German] [ACD/IUPAC Name]
5-(Difluoromethyl)-N-(3,4,5-trimethoxybenzyl)-1,3,4-thiadiazol-2-amine [ACD/IUPAC Name]
5-(Difluorométhyl)-N-(3,4,5-triméthoxybenzyl)-1,3,4-thiadiazol-2-amine [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: 438.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 218.9±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 80.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.49
ACD/KOC (pH 5.5): 343.44
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.49
ACD/KOC (pH 7.4): 343.45
Polar Surface Area: 94 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 245.5±3.0 cm3

Click to predict properties on the Chemicalize site


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