Chemical Properties of Thiazolo[3,2-a]pyridinium, 2,3-dihydro-8-hydroxy-5-methyl-, hydroxide, inner salt (CAS 23003-43-2)

InChI

InChI=1S/C8H9NOS/c1-6-2-3-7(10)8-9(6)4-5-11-8/h2-3H,4-5H2,1H3

InChI Key

IJQXSEDDFABXPP-UHFFFAOYSA-N

Formula

C8H9NOS

SMILES

Cc1ccc([O-])c2[n+]1CCS2

Molecular Weight¹

167.23

CAS

23003-43-2

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	[6.93; 7.35]	eV
IE	6.93 ± 0.05	eV	NIST
IE	6.95 ± 0.05	eV	NIST
IE	7.35 ± 0.05	eV	NIST
logPoct/wat	0.462		Crippen Calculated Property
McVol	121.160	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 Thiazolo[3,2-a]pyridinium, 2,3-dihydro-8-hydroxy-5-methyl-, hydroxide, inner salt.

Sources

• 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
• McGowan Method
• NIST Webbook

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