ChemSpider 2D Image | Propyl ({5-[(2E)-2-(4-hydroxy-3-methoxy-5-nitrobenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate | C15H18N6O6S

Propyl ({5-[(2E)-2-(4-hydroxy-3-methoxy-5-nitrobenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

  • Molecular FormulaC15H18N6O6S
  • Average mass410.405 Da
  • Monoisotopic mass410.100861 Da
  • ChemSpider ID68409304

  • Double-bond stereo - Double-bond stereo

More details:

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

({5-[(2E)-2-(4-Hydroxy-3-méthoxy-5-nitrobenzylidène)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)acétate de propyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-[(2E)-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylene]hydrazinyl]-4H-1,2,4-triazol-3-yl]thio]-, propyl ester [ACD/Index Name]
Propyl ({5-[(2E)-2-(4-hydroxy-3-methoxy-5-nitrobenzylidene)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate [ACD/IUPAC Name]
Propyl-({5-[(2E)-2-(4-hydroxy-3-methoxy-5-nitrobenzyliden)hydrazino]-4H-1,2,4-triazol-3-yl}sulfanyl)acetat [German] [ACD/IUPAC 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: 618.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 327.8±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 99.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 122.89
ACD/KOC (pH 5.5): 963.58
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 4.29
ACD/KOC (pH 7.4): 33.67
Polar Surface Area: 193 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 266.2±7.0 cm3

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