Predicted properties of the compound entered.

ID AAKNVPSWGYCTJW-VBKFSLOCSA-N
Formula C18H16N2O2S
IUPAC Name (5Z)-5-{[3-(2-phenylethoxy)phenyl]methylidene}-2-sulfanylideneimidazolidin-4-one
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C18H16N2O2S/c21-17-16(19-18(23)20-17)12-14-7-4-8-15(11-14)22-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H2,19,20,21,23)/b16-12-
Standard InChIKey (User Input) InChIKey=AAKNVPSWGYCTJW-VBKFSLOCSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers (5Z)-5-[[3-(2-phenylethoxy)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one | (5Z)-5-[[3-(2-phenylethoxy)phenyl]methylene]-2-thioxo-imidazolidin-4-one | (5Z)-5-[[3-(2-phenylethoxy)phenyl]methylene]-2-thioxo-4-imidazolidinone | (5Z)-5-[3-(2-phenylethoxy)benzylidene]-2-thioxo-imidazolidin-4-one | (5Z)-5-[[3-(2-phenylethoxy)phenyl]methylidene]-2-sulfanylidene-imidazolidin-4-one
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
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HSQC/HMBC prediction -
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