ChemSpider 2D Image | N-{[3-(3,4-Dimethylphenyl)-1H-pyrazol-4-yl]methyl}-2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethanamine | C17H22N6S

N-{[3-(3,4-Dimethylphenyl)-1H-pyrazol-4-yl]methyl}-2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethanamine

  • Molecular FormulaC17H22N6S
  • Average mass342.462 Da
  • Monoisotopic mass342.162659 Da
  • ChemSpider ID22244525

More details:

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

1H-Pyrazole-4-methanamine, 3-(3,4-dimethylphenyl)-N-[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]ethyl]- [ACD/Index Name]
N-{[3-(3,4-Dimethylphenyl)-1H-pyrazol-4-yl]methyl}-2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethanamin [German] [ACD/IUPAC Name]
N-{[3-(3,4-Dimethylphenyl)-1H-pyrazol-4-yl]methyl}-2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethanamine [ACD/IUPAC Name]
N-{[3-(3,4-Diméthylphényl)-1H-pyrazol-4-yl]méthyl}-2-[(3-méthyl-1H-1,2,4-triazol-5-yl)sulfanyl]éthanamine [French] [ACD/IUPAC Name]
N-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]ethanamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 639.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.5±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.29
ACD/KOC (pH 5.5): 11.26
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 54.32
ACD/KOC (pH 7.4): 474.13
Polar Surface Area: 108 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 265.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement