ChemSpider 2D Image | 3-[1-(3-Ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine | C19H18N6S

3-[1-(3-Ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine

  • Molecular FormulaC19H18N6S
  • Average mass362.451 Da
  • Monoisotopic mass362.131378 Da
  • ChemSpider ID21781285

More details:

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

1,2,4-Thiadiazol-5-amine, 3-[1-(3-ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-phenyl- [ACD/Index Name]
3-[1-(3-Ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amin [German] [ACD/IUPAC Name]
3-[1-(3-Ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-N-phenyl-1,2,4-thiadiazol-5-amine [ACD/IUPAC Name]
3-[1-(3-Éthylphényl)-5-méthyl-1H-1,2,3-triazol-4-yl]-N-phényl-1,2,4-thiadiazol-5-amine [French] [ACD/IUPAC Name]
1116071-40-9 [RN]
3-(1-(3-ethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-N-phenyl-1,2,4-thiadiazol-5-amine
N-(2,4-dimethylphenyl)-2-{[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]thio}acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 582.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.0±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 106.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1661.54
ACD/KOC (pH 5.5): 7028.10
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1661.54
ACD/KOC (pH 7.4): 7028.11
Polar Surface Area: 97 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 271.4±7.0 cm3

Click to predict properties on the Chemicalize site


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