ChemSpider 2D Image | 3-({[4-(2-Methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfonyl}methyl)-5-(2-thienyl)-1,2,4-oxadiazole | C12H13N5O4S2

3-({[4-(2-Methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfonyl}methyl)-5-(2-thienyl)-1,2,4-oxadiazole

  • Molecular FormulaC12H13N5O4S2
  • Average mass355.393 Da
  • Monoisotopic mass355.040894 Da
  • ChemSpider ID30149120

More details:

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

1,2,4-Oxadiazole, 3-[[[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfonyl]methyl]-5-(2-thienyl)- [ACD/Index Name]
3-({[4-(2-Methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfonyl}methyl)-5-(2-thienyl)-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-({[4-(2-Methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfonyl}methyl)-5-(2-thienyl)-1,2,4-oxadiazole [ACD/IUPAC Name]
3-({[4-(2-Méthoxyéthyl)-4H-1,2,4-triazol-3-yl]sulfonyl}méthyl)-5-(2-thiényl)-1,2,4-oxadiazole [French] [ACD/IUPAC 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: 604.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.2±34.3 °C
Index of Refraction: 1.730
Molar Refractivity: 86.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 0.52
ACD/BCF (pH 5.5): 1.46
ACD/KOC (pH 5.5): 45.55
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 45.55
Polar Surface Area: 150 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 70.3±7.0 dyne/cm
Molar Volume: 216.8±7.0 cm3

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