ChemSpider 2D Image | Methyl N-{[5-(1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]sulfonyl}glycinate | C13H16N2O8S2

Methyl N-{[5-(1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]sulfonyl}glycinate

  • Molecular FormulaC13H16N2O8S2
  • Average mass392.405 Da
  • Monoisotopic mass392.034790 Da
  • ChemSpider ID21919074

More details:

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

Glycine, N-[[5-(1,1-dioxido-3-oxo-2-isothiazolidinyl)-2-methoxyphenyl]sulfonyl]-, methyl ester [ACD/Index Name]
Methyl N-{[5-(1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]sulfonyl}glycinate [ACD/IUPAC Name]
Methyl-N-{[5-(1,1-dioxido-3-oxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]sulfonyl}glycinat [German] [ACD/IUPAC Name]
N-{[2-Méthoxy-5-(3-oxo-1,1-dioxydo-1,2-thiazolidin-2-yl)phényl]sulfonyl}glycinate de méthyle [French] [ACD/IUPAC Name]
1011629-01-8 [RN]
methyl 2-({[2-methoxy-5-(1,1,3-trioxo(2,4,5-trihydroisothiazol-2-yl))phenyl]sulfonyl}amino)acetate
methyl 2-(5-(1,1-dioxido-3-oxoisothiazolidin-2-yl)-2-methoxyphenylsulfonamido)acetate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 604.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.2±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 86.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.23
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.60
Polar Surface Area: 153 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 258.1±3.0 cm3

Click to predict properties on the Chemicalize site


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