ChemSpider 2D Image | 2-Methoxy-5-(3-{[(5-nitro-3-thienyl)methyl]sulfanyl}-4H-1,2,4-triazol-4-yl)pyridine | C13H11N5O3S2

2-Methoxy-5-(3-{[(5-nitro-3-thienyl)methyl]sulfanyl}-4H-1,2,4-triazol-4-yl)pyridine

  • Molecular FormulaC13H11N5O3S2
  • Average mass349.388 Da
  • Monoisotopic mass349.030334 Da
  • ChemSpider ID30321305

More details:

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

2-Methoxy-5-(3-{[(5-nitro-3-thienyl)methyl]sulfanyl}-4H-1,2,4-triazol-4-yl)pyridin [German] [ACD/IUPAC Name]
2-Methoxy-5-(3-{[(5-nitro-3-thienyl)methyl]sulfanyl}-4H-1,2,4-triazol-4-yl)pyridine [ACD/IUPAC Name]
2-Méthoxy-5-(3-{[(5-nitro-3-thiényl)méthyl]sulfanyl}-4H-1,2,4-triazol-4-yl)pyridine [French] [ACD/IUPAC Name]
Pyridine, 2-methoxy-5-[3-[[(5-nitro-3-thienyl)methyl]thio]-4H-1,2,4-triazol-4-yl]- [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: 592.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.4±32.9 °C
Index of Refraction: 1.753
Molar Refractivity: 90.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.53
ACD/KOC (pH 5.5): 632.92
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.53
ACD/KOC (pH 7.4): 632.93
Polar Surface Area: 152 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 70.6±7.0 dyne/cm
Molar Volume: 221.3±7.0 cm3

Click to predict properties on the Chemicalize site


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