ChemSpider 2D Image | 2-[(3-Methyl-1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl 3,4-diethoxybenzoate | C18H25NO7S

2-[(3-Methyl-1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl 3,4-diethoxybenzoate

  • Molecular FormulaC18H25NO7S
  • Average mass399.459 Da
  • Monoisotopic mass399.135162 Da
  • ChemSpider ID22764578

More details:

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

2-[(3-Methyl-1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl 3,4-diethoxybenzoate [ACD/IUPAC Name]
2-[(3-Methyl-1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl-3,4-diethoxybenzoat [German] [ACD/IUPAC Name]
3,4-Diéthoxybenzoate de 2-[(3-méthyl-1,1-dioxydotétrahydro-3-thiophényl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4-diethoxy-, 2-oxo-2-[(tetrahydro-3-methyl-1,1-dioxido-3-thienyl)amino]ethyl ester [ACD/Index 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: 670.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.2±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 98.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.38
ACD/KOC (pH 5.5): 116.11
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.38
ACD/KOC (pH 7.4): 116.11
Polar Surface Area: 116 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 306.5±5.0 cm3

Click to predict properties on the Chemicalize site


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