ChemSpider 2D Image | (Z)-N-{3-[(2-Chlorobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-yl}-1-[3-ethoxy-4-(nonyloxy)phenyl]methanimine | C28H37ClN4O2S

(Z)-N-{3-[(2-Chlorobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-yl}-1-[3-ethoxy-4-(nonyloxy)phenyl]methanimine

  • Molecular FormulaC28H37ClN4O2S
  • Average mass529.137 Da
  • Monoisotopic mass528.232544 Da
  • ChemSpider ID60149425

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-N-{3-[(2-Chlorbenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-yl}-1-[3-ethoxy-4-(nonyloxy)phenyl]methanimin [German] [ACD/IUPAC Name]
(Z)-N-{3-[(2-Chlorobenzyl)sulfanyl]-5-methyl-4H-1,2,4-triazol-4-yl}-1-[3-ethoxy-4-(nonyloxy)phenyl]methanimine [ACD/IUPAC Name]
(Z)-N-{3-[(2-Chlorobenzyl)sulfanyl]-5-méthyl-4H-1,2,4-triazol-4-yl}-1-[3-éthoxy-4-(nonyloxy)phényl]méthanimine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-[[(2-chlorophenyl)methyl]thio]-N-[(1Z)-[3-ethoxy-4-(nonyloxy)phenyl]methylene]-5-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 664.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 355.8±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 151.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 10.04
ACD/LogD (pH 5.5): 9.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3096268.00
ACD/LogD (pH 7.4): 9.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3098114.50
Polar Surface Area: 87 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 456.4±7.0 cm3

Click to predict properties on the Chemicalize site


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