ChemSpider 2D Image | 3-({[1-(2,6-Dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-4-amine | C22H26N8S

3-({[1-(2,6-Dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-4-amine

  • Molecular FormulaC22H26N8S
  • Average mass434.560 Da
  • Monoisotopic mass434.200104 Da
  • ChemSpider ID31908166

More details:

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

3-({[1-(2,6-Dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-4-amin [German] [ACD/IUPAC Name]
3-({[1-(2,6-Dimethylphenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-4-amine [ACD/IUPAC Name]
3-({[1-(2,6-Diméthylphényl)-1H-tétrazol-5-yl]méthyl}sulfanyl)-5-[4-(2-méthyl-2-propanyl)phényl]-4H-1,2,4-triazol-4-amine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-[4-(1,1-dimethylethyl)phenyl]-5-[[[1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl]methyl]thio]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 662.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.2±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 701.99
ACD/KOC (pH 5.5): 3793.11
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 702.04
ACD/KOC (pH 7.4): 3793.39
Polar Surface Area: 126 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 329.9±7.0 cm3

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