ChemSpider 2D Image | 4-{(Z)-[(3-Butyl-5-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-yl)imino]methyl}-N,N-dimethylaniline | C26H35N5S

4-{(Z)-[(3-Butyl-5-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-yl)imino]methyl}-N,N-dimethylaniline

  • Molecular FormulaC26H35N5S
  • Average mass449.655 Da
  • Monoisotopic mass449.261322 Da
  • ChemSpider ID60139022

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(Z)-[(3-Butyl-5-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-yl)imino]methyl}-N,N-dimethylanilin [German] [ACD/IUPAC Name]
4-{(Z)-[(3-Butyl-5-{[4-(2-methyl-2-propanyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-yl)imino]methyl}-N,N-dimethylaniline [ACD/IUPAC Name]
4-{(Z)-[(3-Butyl-5-{[4-(2-méthyl-2-propanyl)benzyl]sulfanyl}-4H-1,2,4-triazol-4-yl)imino]méthyl}-N,N-diméthylaniline [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-butyl-N-[(1Z)-[4-(dimethylamino)phenyl]methylene]-5-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 613.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.0±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 77214.63
ACD/KOC (pH 5.5): 109645.16
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 77342.07
ACD/KOC (pH 7.4): 109826.13
Polar Surface Area: 72 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 39.3±7.0 dyne/cm
Molar Volume: 415.6±7.0 cm3

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