ChemSpider 2D Image | (Z)-N-{3-[(2,6-Dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-(3,4-dimethoxy-5-nitrophenyl)methanimine | C18H15Cl2N5O4S

(Z)-N-{3-[(2,6-Dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-(3,4-dimethoxy-5-nitrophenyl)methanimine

  • Molecular FormulaC18H15Cl2N5O4S
  • Average mass468.314 Da
  • Monoisotopic mass467.022186 Da
  • ChemSpider ID60148177

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-N-{3-[(2,6-Dichlorbenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-(3,4-dimethoxy-5-nitrophenyl)methanimin [German] [ACD/IUPAC Name]
(Z)-N-{3-[(2,6-Dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-(3,4-dimethoxy-5-nitrophenyl)methanimine [ACD/IUPAC Name]
(Z)-N-{3-[(2,6-Dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-4-yl}-1-(3,4-diméthoxy-5-nitrophényl)méthanimine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, 3-[[(2,6-dichlorophenyl)methyl]thio]-N-[(1Z)-(3,4-dimethoxy-5-nitrophenyl)methylene]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 663.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 354.9±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 116.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3223.95
ACD/KOC (pH 5.5): 11295.02
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3224.25
ACD/KOC (pH 7.4): 11296.09
Polar Surface Area: 133 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 311.3±7.0 cm3

Click to predict properties on the Chemicalize site


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