ChemSpider 2D Image | 6-[({4-Allyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine | C25H28N8OS

6-[({4-Allyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine

  • Molecular FormulaC25H28N8OS
  • Average mass488.608 Da
  • Monoisotopic mass488.210663 Da
  • ChemSpider ID33998455

More details:

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

1,3,5-Triazine-2,4-diamine, N2-(2-ethylphenyl)-6-[[[5-[(3-methylphenoxy)methyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]methyl]- [ACD/Index Name]
6-[({4-Allyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2-ethylphenyl)-1,3,5-triazin-2,4-diamin [German] [ACD/IUPAC Name]
6-[({4-Allyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine [ACD/IUPAC Name]
6-[({4-Allyl-5-[(3-méthylphénoxy)méthyl]-4H-1,2,4-triazol-3-yl}sulfanyl)méthyl]-N-(2-éthylphényl)-1,3,5-triazine-2,4-diamine [French] [ACD/IUPAC 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: 756.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.2±35.7 °C
Index of Refraction: 1.673
Molar Refractivity: 140.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1120.26
ACD/KOC (pH 5.5): 5269.26
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1143.35
ACD/KOC (pH 7.4): 5377.89
Polar Surface Area: 142 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 374.7±7.0 cm3

Click to predict properties on the Chemicalize site


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