Chemical Properties of 2-Mercaptopyridine-N-oxide (CAS 1121-31-9)

InChI

InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H

InChI Key

FGVVTMRZYROCTH-UHFFFAOYSA-N

Formula

C5H5NOS

SMILES

[O-][n+]1ccccc1S

Molecular Weight¹

127.16

CAS

1121-31-9

Other Names

• 2-Mercaptopyridine monoxide
• 2-Pyridinethiol, 1-oxide
• 2-mercaptopyridine 1-oxide
• 2-mercaptopyridine N-oxide
• 2-pyridinethiol N-oxide
• Omadine
• Pyridine-2-thiol-1-oxide
• pyridine-2-thiol N-oxide

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 2-Mercaptopyridine-N-oxide.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Thermal behaviour of nitrogen oxides relevant to oxidative denitrogenation
• McGowan Method
• NIST Webbook

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