ChemSpider 2D Image | Ethyl 4-[(chloroacetyl)(1,1-dioxidotetrahydro-3-thiophenyl)amino]benzoate | C15H18ClNO5S

Ethyl 4-[(chloroacetyl)(1,1-dioxidotetrahydro-3-thiophenyl)amino]benzoate

  • Molecular FormulaC15H18ClNO5S
  • Average mass359.825 Da
  • Monoisotopic mass359.059418 Da
  • ChemSpider ID23375577

More details:

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

4-[(2-Chloroacétyl)(1,1-dioxydotétrahydro-3-thiophényl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2-chloroacetyl)(tetrahydro-1,1-dioxido-3-thienyl)amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[(chloroacetyl)(1,1-dioxidotetrahydro-3-thiophenyl)amino]benzoate [ACD/IUPAC Name]
Ethyl 4-[(chloroacetyl)(1,1-dioxidotetrahydrothiophen-3-yl)amino]benzoate
Ethyl-4-[(chloracetyl)(1,1-dioxidotetrahydro-3-thiophenyl)amino]benzoat [German] [ACD/IUPAC Name]
1283427-15-5 [RN]
AGN-PC-07T7OL
AKOS005203103
ethyl 4-(2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamido)benzoate
ethyl 4-[(2-chloroacetyl)-(1,1-dioxothiolan-3-yl)amino]benzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 575.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.2±3.0 kJ/mol
    Flash Point: 301.9±30.1 °C
    Index of Refraction: 1.580
    Molar Refractivity: 85.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.75
    ACD/LogD (pH 5.5): 1.03
    ACD/BCF (pH 5.5): 3.57
    ACD/KOC (pH 5.5): 86.45
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 3.57
    ACD/KOC (pH 7.4): 86.45
    Polar Surface Area: 89 Å2
    Polarizability: 34.0±0.5 10-24cm3
    Surface Tension: 53.2±3.0 dyne/cm
    Molar Volume: 258.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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