ChemSpider 2D Image | Ethyl 3-oxohexahydrothieno[3,4-e][1,2,4]triazine-1(2H)-carboxylate 6,6-dioxide | C8H13N3O5S

Ethyl 3-oxohexahydrothieno[3,4-e][1,2,4]triazine-1(2H)-carboxylate 6,6-dioxide

  • Molecular FormulaC8H13N3O5S
  • Average mass263.271 Da
  • Monoisotopic mass263.057587 Da
  • ChemSpider ID35520221

More details:

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

6,6-Dioxyde de 3-oxohexahydrothiéno[3,4-e][1,2,4]triazine-1(2H)-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-oxohexahydrothieno[3,4-e][1,2,4]triazine-1(2H)-carboxylate 6,6-dioxide [ACD/IUPAC Name]
Ethyl-3-oxohexahydrothieno[3,4-e][1,2,4]triazin-1(2H)-carboxylat-6,6-dioxid [German] [ACD/IUPAC Name]
Thieno[3,4-e]-1,2,4-triazine-1(2H)-carboxylic acid, hexahydro-3-oxo-, ethyl ester, 6,6-dioxide [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.542
Molar Refractivity: 56.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.82
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.72
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.71
Polar Surface Area: 113 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 181.0±3.0 cm3

Click to predict properties on the Chemicalize site


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