Chemical Properties of 2-Furanmethanethiol, 5-methyl- (CAS 59303-05-8)

InChI

InChI=1S/C6H8OS/c1-5-2-3-6(4-8)7-5/h2-3,8H,4H2,1H3

InChI Key

MGLMZOFGBDYNMH-UHFFFAOYSA-N

Formula

C6H8OS

SMILES

Cc1ccc(CS)o1

Molecular Weight¹

128.19

CAS

59303-05-8

Other Names

• (5-Methyl-2-furyl)methanethiol
• 2-Methyl-5-thiomethylfuran
• 5-Methyl-2-furfurylmercaptan
• 5-Methyl-2-furfurylthiol
• 5-Methylfurfuryl mercaptan

• 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.
• 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	0.4352		Relay (1.0) Calculated Property
ΔfG°	-18.74	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-117.47	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	53.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log10WS	-0.87		Relay (1.0) Calculated Property
logPoct/wat	2.018		Crippen Calculated Property
McVol	98.160	ml/mol	McGowan Calculated Property
Pc	3959.95	kPa	Relay (1.0-beta) Calculated Property
Inp	[993.00; 1016.00]
Inp	995.00		NIST
Inp	995.00		NIST
Inp	993.00		NIST
Inp	995.00		NIST
Inp	Outlier 1016.00		NIST
Inp	995.00		NIST
Inp	993.00		NIST
I	[1473.00; 1505.00]
I	1497.00		NIST
I	1505.00		NIST
I	1500.00		NIST
I	1497.00		NIST
I	Outlier 1473.00		NIST
I	1500.00		NIST
I	1497.00		NIST
I	1500.00		NIST
Tboil	447.98	K	Relay (1.0) Calculated Property
Tc	669.73	K	Relay (1.0) Calculated Property
Tfus	237.13	K	Relay (1.0) Calculated Property
Vc	0.357	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Furanmethanethiol, 5-methyl-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.