ChemSpider 2D Image | 3-({[4-(2-Methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methyl-1,2,4-oxadiazole | C9H13N5O2S

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

  • Molecular FormulaC9H13N5O2S
  • Average mass255.297 Da
  • Monoisotopic mass255.078995 Da
  • ChemSpider ID26172159

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]thio]methyl]-5-methyl- [ACD/Index Name]
3-({[4-(2-Methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methyl-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-({[4-(2-Methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5-methyl-1,2,4-oxadiazole [ACD/IUPAC Name]
3-({[4-(2-Méthoxyéthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}méthyl)-5-méthyl-1,2,4-oxadiazole [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 450.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 226.1±31.5 °C
Index of Refraction: 1.665
Molar Refractivity: 65.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.53
ACD/KOC (pH 5.5): 47.13
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 47.13
Polar Surface Area: 104 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 175.9±7.0 cm3

Click to predict properties on the Chemicalize site


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