ChemSpider 2D Image | Ethyl 5-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-1,3,4-oxadiazole-2-carboxylate | C8H7N5O5S

Ethyl 5-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-1,3,4-oxadiazole-2-carboxylate

  • Molecular FormulaC8H7N5O5S
  • Average mass285.237 Da
  • Monoisotopic mass285.016785 Da
  • ChemSpider ID43778853

More details:

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

1,3,4-Oxadiazole-2-carboxylic acid, 5-[(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)thio]-, ethyl ester [ACD/Index Name]
5-[(3,5-Dioxo-2,3,4,5-tétrahydro-1,2,4-triazin-6-yl)sulfanyl]-1,3,4-oxadiazole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-1,3,4-oxadiazole-2-carboxylate [ACD/IUPAC Name]
Ethyl-5-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]-1,3,4-oxadiazol-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.799
Molar Refractivity: 62.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.57
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 88.9±7.0 dyne/cm
Molar Volume: 146.5±7.0 cm3

Click to predict properties on the Chemicalize site


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