ChemSpider 2D Image | 2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl (3,5-dimethylphenoxy)acetate | C20H29NO6S

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl (3,5-dimethylphenoxy)acetate

  • Molecular FormulaC20H29NO6S
  • Average mass411.512 Da
  • Monoisotopic mass411.171570 Da
  • ChemSpider ID30550691

More details:

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

(3,5-Diméthylphénoxy)acétate de 2-[(1,1-dioxydotétrahydro-3-thiophényl)(isobutyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl (3,5-dimethylphenoxy)acetate [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl-(3,5-dimethylphenoxy)acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-(3,5-dimethylphenoxy)-, 2-[(2-methylpropyl)(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.5±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: 327.3±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 105.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.93
ACD/KOC (pH 5.5): 337.78
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.93
ACD/KOC (pH 7.4): 337.78
Polar Surface Area: 98 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 332.4±5.0 cm3

Click to predict properties on the Chemicalize site


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