ChemSpider 2D Image | Ethyl [5-(methylsulfonyl)-2-tetrazolidinyl]acetate | C6H14N4O4S

Ethyl [5-(methylsulfonyl)-2-tetrazolidinyl]acetate

  • Molecular FormulaC6H14N4O4S
  • Average mass238.265 Da
  • Monoisotopic mass238.073578 Da
  • ChemSpider ID113532727

More details:

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

[5-(Méthylsulfonyl)-2-tétrazolidinyl]acétate d'éthyle [French] [ACD/IUPAC Name]
2-Tetrazolidineacetic acid, 5-(methylsulfonyl)-, ethyl ester [ACD/Index Name]
Ethyl [5-(methylsulfonyl)-2-tetrazolidinyl]acetate [ACD/IUPAC Name]
Ethyl-[5-(methylsulfonyl)-2-tetrazolidinyl]acetat [German] [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: 410.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 201.9±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 53.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.33
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.34
Polar Surface Area: 108 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 163.3±5.0 cm3

Click to predict properties on the Chemicalize site


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