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)

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-6.42		Crippen 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	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

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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