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

N-(3,4-Dimethylphenyl)-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 ID25988023

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-(3,4-dimethylphenyl)-3-methyl- [ACD/Index Name]
N-(3,4-Dimethylphenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amin [German] [ACD/IUPAC Name]
N-(3,4-Dimethylphenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine [ACD/IUPAC Name]
N-(3,4-Diméthylphényl)-3-méthyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-amine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 473.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.8±31.5 °C
Index of Refraction: 1.721
Molar Refractivity: 78.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.47
ACD/KOC (pH 5.5): 401.46
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.49
ACD/KOC (pH 7.4): 401.75
Polar Surface Area: 80 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 197.9±7.0 cm3

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