Chemical Properties of 2-methyl-3-(methylthio)furan (CAS 63012-97-5)

InChI

InChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3

InChI Key

OQVAOEIMSKZGAL-UHFFFAOYSA-N

Formula

C6H8OS

SMILES

CSc1ccoc1C

Molecular Weight¹

128.19

CAS

63012-97-5

Other Names

• Furan, 2-methyl-3-(methylthio)

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.06	eV	Relay (1.0) Calculated Property
logPoct/wat	2.310		Crippen Calculated Property
McVol	98.160	ml/mol	McGowan Calculated Property
Inp	[910.00; 963.00]
Inp	957.00		NIST
Inp	959.00		NIST
Inp	944.00		NIST
Inp	963.00		NIST
Inp	938.00		NIST
Inp	Outlier 910.00		NIST
Inp	947.00		NIST
Inp	925.00		NIST
Inp	933.00		NIST
Inp	944.00		NIST
Inp	947.00		NIST
I	[1329.00; 1383.00]
I	1337.00		NIST
I	1356.00		NIST
I	1338.00		NIST
I	1330.00		NIST
I	1343.00		NIST
I	1329.00		NIST
I	1333.00		NIST
I	Outlier 1383.00		NIST
Tboil	450.87	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 2-methyl-3-(methylthio)furan.

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.
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