Chemical Properties of Thiophene, 2-methyl-3-(methylthio)

InChI

InChI=1S/C6H8S2/c1-5-6(7-2)3-4-8-5/h3-4H,1-2H3

InChI Key

MRVFTOBCUYZFSE-UHFFFAOYSA-N

Formula

C6H8S2

SMILES

CSc1ccsc1C

Molecular Weight¹

144.26

Other Names

• 2-methyl-3-(methylthio)thiophene

• 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).
• I_np : Non-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	0.2766		Relay (1.0) Calculated Property
ΔfG°	114.39	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	65.75	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	52.99	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-3.16		Relay (1.0) Calculated Property
logPoct/wat	2.778		Crippen Calculated Property
McVol	108.640	ml/mol	McGowan Calculated Property
Pc	3973.10	kPa	Relay (1.0-beta) Calculated Property
Inp	[1141.00; 1144.00]
Inp	1141.00		NIST
Inp	1144.00		NIST
Inp	1141.00		NIST
Inp	1144.00		NIST
Tboil	483.95	K	Relay (1.0) Calculated Property
Tc	685.98	K	Relay (1.0) Calculated Property
Tfus	240.46	K	Relay (1.0) Calculated Property
Vc	0.371	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Thiophene, 2-methyl-3-(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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