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Predicted properties of the compound entered.

ID ABBQGOCHXSPKHJ-WUKNDPDISA-N
Formula C12H13N5O2S
IUPAC Name 4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]benzene-1-sulfonamide
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C12H13N5O2S/c13-8-1-6-12(11(14)7-8)17-16-9-2-4-10(5-3-9)20(15,18)19/h1-7H,13-14H2,(H2,15,18,19)/b17-16+
Standard InChIKey (User Input) InChIKey=ABBQGOCHXSPKHJ-WUKNDPDISA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 4-(2,4-diaminophenyl)diazenylbenzenesulfonamide | 4-(2,4-diaminophenyl)azobenzenesulfonamide | 103-12-8 | AI3-09088 | Benzenesulfonamide, 4-((2,4-diaminophenyl)azo)- | EINECS 203-081-2 | Rubiazol | C07573 | Prontosil | Prontosil rubrum | Sulfamidochrysoidine | p-((2,4-Diaminophenyl)azo)benzenesulphonamide
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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 -
COSY -
HSQC/HMBC prediction -
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