Chemical Properties of Pyridine, 4-(methylthio)- (CAS 22581-72-2)

InChI

InChI=1S/C6H7NS/c1-8-6-2-4-7-5-3-6/h2-5H,1H3

InChI Key

XCHSSZMKKXPBAI-UHFFFAOYSA-N

Formula

C6H7NS

SMILES

CSc1ccncc1

Molecular Weight¹

125.19

CAS

22581-72-2

Other Names

• 4-(Methylthio)pyridine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I : Polar retention indices.
• 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	0.2807		Relay (1.0) Calculated Property
PAff	955.20	kJ/mol	NIST
BasG	923.30	kJ/mol	NIST
ΔfH°gas	139.02	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	63.43	kJ/mol	Relay (1.0) Calculated Property
IE	[8.73; 9.00]	eV
IE	9.00 ± 0.02	eV	NIST
IE	8.73 ± 0.03	eV	NIST
log10WS	-0.55		Relay (1.0) Calculated Property
logPoct/wat	1.804		Crippen Calculated Property
McVol	97.970	ml/mol	McGowan Calculated Property
Pc	4659.06	kPa	Relay (1.0-beta) Calculated Property
I	1796.00		NIST
Tboil	486.59	K	Relay (1.0) Calculated Property
Tc	709.87	K	Relay (1.0) Calculated Property
Tfus	268.91	K	Relay (1.0) Calculated Property
Vc	0.334	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Pyridine, 4-(methylthio)-.

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

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