Chemical Properties of Pyridine, 2-(methylthio)- (CAS 18438-38-5)

InChI

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

InChI Key

VLQBSKLZRSUMTJ-UHFFFAOYSA-N

Formula

C6H7NS

SMILES

CSc1ccccn1

Molecular Weight¹

125.19

CAS

18438-38-5

Other Names

• 2-(Methylthio)pyridine
• Methyl 2-pyridyl sulfide
• Methylthio-2 pyridine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• 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	0.2729		Relay (1.0) Calculated Property
PAff	937.80	kJ/mol	NIST
BasG	906.00	kJ/mol	NIST
ΔfG°	187.53	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	128.60	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	58.60	kJ/mol	Relay (1.0) Calculated Property
IE	[8.24; 8.47]	eV
IE	8.47 ± 0.02	eV	NIST
IE	8.24 ± 0.03	eV	NIST
log10WS	-0.92		Relay (1.0) Calculated Property
logPoct/wat	1.804		Crippen Calculated Property
McVol	97.970	ml/mol	McGowan Calculated Property
Pc	4801.52	kPa	Relay (1.0-beta) Calculated Property
Inp	1099.00		NIST
I	1635.00		NIST
Tboil	479.22	K	Relay (1.0) Calculated Property
Tc	695.31	K	Relay (1.0) Calculated Property
Tfus	242.82	K	Relay (1.0) Calculated Property
Vc	0.343	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Pyridine, 2-(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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