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Predicted properties of the compound entered.

ID AAVJJVBQARSXFC-UHFFFAOYSA-N
Formula C7H6N4OS
IUPAC Name 4-(2,3-dihydro-1,2,3,4-thiatriazol-5-ylimino)cyclohexa-2,5-dien-1-one
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C7H6N4OS/c12-6-3-1-5(2-4-6)8-7-9-10-11-13-7/h1-4,10-11H
Standard InChIKey (User Input) InChIKey=AAVJJVBQARSXFC-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 4-(2,3-dihydrothiatriazol-5-ylimino)cyclohexa-2,5-dien-1-one | 4-(2,3-dihydrothiatriazol-5-ylimino)-1-cyclohexa-2,5-dienone | 4-(2,3-dihydro-1,2,3,4-thiatriazol-5-ylimino)cyclohexa-2,5-dien-1-one | 23567-67-1 | Abbott 31699 | ZINC00119792 | Oprea1_474466 | 5-(p-Hydroxyanilino)-1,2,3,4-thiatriazole | p-(1,2,3,4-Thiatriazol-5-ylamino)phenol | EINECS 245-745-4 | Phenol, 4-(1,2,3,4-thiatriazol-5-ylamino)-
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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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