Chemical Properties of 2-Furylmethylsulfide (CAS 13129-38-9)

InChI

InChI=1S/C5H6OS/c1-7-5-3-2-4-6-5/h2-4H,1H3

InChI Key

QNQUVXCNWQTHHY-UHFFFAOYSA-N

Formula

C5H6OS

SMILES

CSc1ccco1

Molecular Weight¹

114.17

CAS

13129-38-9

Other Names

• Methyl furfuryl sulfide
• 2-Methylsulfanyl-furan
• Furan,2-(methylthio)-

• 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).
• 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
IE	8.58 ± 0.05	eV	NIST
log10WS	-5.95		Crippen Calculated Property
logPoct/wat	2.002		Crippen Calculated Property
McVol	84.070	ml/mol	McGowan Calculated Property
Inp	[865.00; 902.00]
Inp	865.00		NIST
Inp	902.00		NIST
Inp	894.00		NIST
Inp	880.00		NIST
Inp	865.00		NIST
I	[1480.00; 1494.00]
I	1492.00		NIST
I	1494.00		NIST
I	1480.00		NIST
I	1482.00		NIST
I	1492.00		NIST

Similar Compounds

Find more compounds similar to 2-Furylmethylsulfide.

Sources

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

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