ChemSpider 2D Image | 5-Ethyl-3-{[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,4-triazole | C10H16N6S

5-Ethyl-3-{[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,4-triazole

  • Molecular FormulaC10H16N6S
  • Average mass252.339 Da
  • Monoisotopic mass252.115707 Da
  • ChemSpider ID35181974

More details:

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

1H-1,2,4-Triazole, 5-ethyl-3-[[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]methyl]- [ACD/Index Name]
5-Ethyl-3-{[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
5-Ethyl-3-{[(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,4-triazole [ACD/IUPAC Name]
5-Éthyl-3-{[(5-éthyl-4-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]méthyl}-1H-1,2,4-triazole [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 510.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 262.8±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 70.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.71
ACD/KOC (pH 5.5): 150.06
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.72
ACD/KOC (pH 7.4): 150.28
Polar Surface Area: 98 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 182.9±7.0 cm3

Click to predict properties on the Chemicalize site


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