Chemical Properties of 2(1H)-Pyridinethione (CAS 2637-34-5)

InChI

InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)

InChI Key

WHMDPDGBKYUEMW-UHFFFAOYSA-N

Formula

C5H5NS

SMILES

S=c1cccc[nH]1

Molecular Weight¹

111.17

CAS

2637-34-5

Other Names

• Pyrid-2-thione
• 2-Mercaptopyridine
• 2-Pyridinethiol
• 2-Pyridinethione
• 2-Thiopyridine
• 2-Thiopyridone
• 2-Pyridyl mercaptan
• pyridine-2-thiol

• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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	[7.77; 7.80]	eV
IE	7.77	eV	NIST
IE	7.80 ± 0.03	eV	NIST
log10WS	-1.54		Crippen Calculated Property
logPoct/wat	1.262		Crippen Calculated Property
McVol	83.880	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to 2(1H)-Pyridinethione.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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