ChemSpider 2D Image | 3-[(2E)-2-(3,5-Dinitrobenzylidene)hydrazino]-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazole | C17H15N7O5S

3-[(2E)-2-(3,5-Dinitrobenzylidene)hydrazino]-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazole

  • Molecular FormulaC17H15N7O5S
  • Average mass429.410 Da
  • Monoisotopic mass429.085541 Da
  • ChemSpider ID68783055

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(2E)-2-(3,5-Dinitrobenzyliden)hydrazino]-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-[(2E)-2-(3,5-Dinitrobenzylidene)hydrazino]-5-[(3-methoxybenzyl)sulfanyl]-4H-1,2,4-triazole [ACD/IUPAC Name]
3-[(2E)-2-(3,5-Dinitrobenzylidène)hydrazino]-5-[(3-méthoxybenzyl)sulfanyl]-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
Benzaldehyde, 3,5-dinitro-, 2-[5-[[(3-methoxyphenyl)methyl]thio]-4H-1,2,4-triazol-3-yl]hydrazone [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 671.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.6±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 108.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 270.89
ACD/KOC (pH 5.5): 1916.28
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 216.71
ACD/KOC (pH 7.4): 1533.01
Polar Surface Area: 192 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 70.7±7.0 dyne/cm
Molar Volume: 274.9±7.0 cm3

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