ChemSpider 2D Image | 4-(2-Methoxyethyl)-5-(4-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione | C11H12N4O3S

4-(2-Methoxyethyl)-5-(4-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC11H12N4O3S
  • Average mass280.303 Da
  • Monoisotopic mass280.063019 Da
  • ChemSpider ID17824765

More details:

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

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(2-methoxyethyl)-5-(4-nitrophenyl)- [ACD/Index Name]
4-(2-Methoxyethyl)-5-(4-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-(2-Methoxyethyl)-5-(4-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-(2-Méthoxyéthyl)-5-(4-nitrophényl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
917747-82-1 [RN]
4-(2-Methoxy-ethyl)-5-(4-nitro-phenyl)-4H-[1,2,4]triazole-3-thiol
MFCD08898749

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

Density: 1.5±0.1 g/cm3
Boiling Point: 484.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 246.9±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 72.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 2.80
ACD/KOC (pH 5.5): 39.27
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 192.6±7.0 cm3

Click to predict properties on the Chemicalize site


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