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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2982		Relay (1.0) Calculated Property
ΔfG°	130.74	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	177.08	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	119.20	kJ/mol	Relay (1.0) Calculated Property
IE	[7.77; 7.80]	eV
IE	7.77	eV	NIST
IE	7.80 ± 0.03	eV	NIST
log10WS	-1.58		Relay (1.0) Calculated Property
logPoct/wat	1.262		Crippen Calculated Property
McVol	83.880	ml/mol	McGowan Calculated Property
Pc	5480.09	kPa	Relay (1.0-beta) Calculated Property
Tboil	537.01	K	Relay (1.0) Calculated Property
Tc	761.94	K	Relay (1.0) Calculated Property
Tfus	332.17	K	Relay (1.0) Calculated Property
Vc	0.277	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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

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
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.