ChemSpider 2D Image | 2-[sec-Butyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate | C18H25NO7S

2-[sec-Butyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate

  • Molecular FormulaC18H25NO7S
  • Average mass399.459 Da
  • Monoisotopic mass399.135162 Da
  • ChemSpider ID22554973

More details:

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

2-[sec-Butyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate [ACD/IUPAC Name]
2-[sec-Butyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl-4,6-dimethyl-2-oxo-2H-pyran-5-carboxylat [German] [ACD/IUPAC Name]
2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, 2-[(1-methylpropyl)(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl ester [ACD/Index Name]
4,6-Diméthyl-2-oxo-2H-pyrane-5-carboxylate de 2-[sec-butyl(1,1-dioxydotétrahydro-3-thiophényl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 617.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.4±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 96.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.16
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.16
Polar Surface Area: 115 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 303.5±5.0 cm3

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