Chemical Properties of Furan, 2-[(methylthio)methyl]- (CAS 1438-91-1)

InChI

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

InChI Key

SKSFHXVDHVKIBN-UHFFFAOYSA-N

Formula

C6H8OS

SMILES

CSCc1ccco1

Molecular Weight¹

128.19

CAS

1438-91-1

Other Names

• Furfuryl methyl sulfide
• 2-Furfuryl methyl sulfide
• 2-Furfuryl methyl sulphide
• 2-(Methylthio)methylfuran
• Methyl 2-furfuryl sulfide
• 2-[(Methylsulfanyl)methyl]furan

• 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	-6.39		Crippen Calculated Property
logPoct/wat	2.143		Crippen Calculated Property
McVol	98.160	ml/mol	McGowan Calculated Property
Inp	[970.00; 999.00]
Inp	988.00		NIST
Inp	990.00		NIST
Inp	992.00		NIST
Inp	984.00		NIST
Inp	975.00		NIST
Inp	981.00		NIST
Inp	995.00		NIST
Inp	995.00		NIST
Inp	976.00		NIST
Inp	990.00		NIST
Inp	972.00		NIST
Inp	978.00		NIST
Inp	970.00		NIST
Inp	995.00		NIST
Inp	999.00		NIST
Inp	975.00		NIST
Inp	986.00		NIST
Inp	982.00		NIST
Inp	998.00		NIST
Inp	980.00		NIST
Inp	972.00		NIST
Inp	998.00		NIST
Inp	975.00		NIST
Inp	990.00		NIST
Inp	988.00		NIST
I	[1450.00; 1516.00]
I	1492.00		NIST
I	1493.00		NIST
I	1493.00		NIST
I	1485.00		NIST
I	1476.00		NIST
I	1480.00		NIST
I	1503.00		NIST
I	1485.00		NIST
I	1460.00		NIST
I	1506.00		NIST
I	1506.00		NIST
I	1502.00		NIST
I	1516.00		NIST
I	1516.00		NIST
I	1516.00		NIST
I	Outlier 1450.00		NIST
I	1465.00		NIST
I	1481.00		NIST
I	1516.00		NIST
I	1481.00		NIST
I	1492.00		NIST

Similar Compounds

Find more compounds similar to Furan, 2-[(methylthio)methyl]-.

Sources

• 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.