ChemSpider 2D Image | (Z)-N-{3-Butyl-5-[(3,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-[3-ethoxy-4-(pentyloxy)phenyl]methanimine | C29H40N4O2S

(Z)-N-{3-Butyl-5-[(3,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-[3-ethoxy-4-(pentyloxy)phenyl]methanimine

  • Molecular FormulaC29H40N4O2S
  • Average mass508.719 Da
  • Monoisotopic mass508.287201 Da
  • ChemSpider ID60144304

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-N-{3-Butyl-5-[(3,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-[3-ethoxy-4-(pentyloxy)phenyl]methanimin [German] [ACD/IUPAC Name]
(Z)-N-{3-Butyl-5-[(3,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-[3-ethoxy-4-(pentyloxy)phenyl]methanimine [ACD/IUPAC Name]
(Z)-N-{3-Butyl-5-[(3,5-diméthylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-[3-éthoxy-4-(pentyloxy)phényl]méthanimine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-butyl-5-[[(3,5-dimethylphenyl)methyl]thio]-N-[(1Z)-[3-ethoxy-4-(pentyloxy)phenyl]methylene]- [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: 656.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.1±34.3 °C
Index of Refraction: 1.570
Molar Refractivity: 151.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 9.83
ACD/LogD (pH 5.5): 8.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 760207.81
ACD/LogD (pH 7.4): 8.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 760796.50
Polar Surface Area: 87 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 39.0±7.0 dyne/cm
Molar Volume: 461.4±7.0 cm3

Click to predict properties on the Chemicalize site


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