ChemSpider 2D Image | Methyl 6,7-dihydro-7-oxo-5H-[1,2,4]triazolo[5,1-b][1,3]thiazine-6-acetate | C8H9N3O3S

Methyl 6,7-dihydro-7-oxo-5H-[1,2,4]triazolo[5,1-b][1,3]thiazine-6-acetate

  • Molecular FormulaC8H9N3O3S
  • Average mass227.240 Da
  • Monoisotopic mass227.036469 Da
  • ChemSpider ID23480292

More details:

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

(7-Oxo-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-yl)acétate de méthyle [French] [ACD/IUPAC Name]
1120258-96-9 [RN]
5H-[1,2,4]Triazolo[5,1-b][1,3]thiazine-6-acetic acid, 6,7-dihydro-7-oxo-, methyl ester [ACD/Index Name]
Methyl (7-oxo-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-yl)acetate [ACD/IUPAC Name]
Methyl 6,7-dihydro-7-oxo-5H-[1,2,4]triazolo[5,1-b][1,3]thiazine-6-acetate
Methyl-(7-oxo-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-6-yl)acetat [German] [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: 415.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.2±26.5 °C
Index of Refraction: 1.721
Molar Refractivity: 55.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.92
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.92
Polar Surface Area: 99 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 67.8±7.0 dyne/cm
Molar Volume: 139.3±7.0 cm3

Click to predict properties on the Chemicalize site


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