ChemSpider 2D Image | 5-{[4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl]methyl}-1,3,4-oxadiazole-2(3H)-thione | C12H11N5O2S

5-{[4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl]methyl}-1,3,4-oxadiazole-2(3H)-thione

  • Molecular FormulaC12H11N5O2S
  • Average mass289.313 Da
  • Monoisotopic mass289.063354 Da
  • ChemSpider ID21126210

More details:

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

1,3,4-Oxadiazole-2(3H)-thione, 5-[[4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]methyl]- [ACD/Index Name]
5-{[4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl]methyl}-1,3,4-oxadiazol-2(3H)-thion [German] [ACD/IUPAC Name]
5-{[4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl]methyl}-1,3,4-oxadiazole-2(3H)-thione [ACD/IUPAC Name]
5-{[4-(4-Méthoxyphényl)-1H-1,2,3-triazol-1-yl]méthyl}-1,3,4-oxadiazole-2(3H)-thione [French] [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: 515.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.6±32.9 °C
Index of Refraction: 1.732
Molar Refractivity: 76.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 190.7±7.0 cm3

Click to predict properties on the Chemicalize site


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