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Search term: CAKAIMBDKZZDMZ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-(4-Ethylphenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine | C13H15N5S

N-(4-Ethylphenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine

  • Molecular FormulaC13H15N5S
  • Average mass273.357 Da
  • Monoisotopic mass273.104828 Da
  • ChemSpider ID21113448

More details:






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

7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazin-6-amine, N-(4-ethylphenyl)-3-methyl- [ACD/Index Name]
N-(4-Ethylphenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amin [German] [ACD/IUPAC Name]
N-(4-Ethylphenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine [ACD/IUPAC Name]
N-(4-Éthylphényl)-3-méthyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine [French] [ACD/IUPAC Name]
(4-ethylphenyl)(3-methyl(7H-1,2,4-triazolo[3,4-b]1,3,4-thiadiazin-6-yl))amine
(4-Ethyl-phenyl)-(3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 467.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.4±26.8 °C
Index of Refraction: 1.719
Molar Refractivity: 78.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.80
ACD/KOC (pH 5.5): 376.03
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.82
ACD/KOC (pH 7.4): 376.29
Polar Surface Area: 80 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 198.8±7.0 cm3

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