Chemical Properties of 2-furfuryl 2-oxo-3-butyl disulfide

InChI

InChI=1S/C9H12O2S2/c1-7(10)8(2)13-12-6-9-4-3-5-11-9/h3-5,8H,6H2,1-2H3

InChI Key

LOGIPTDAOGQBBJ-UHFFFAOYSA-N

Formula

C9H12O2S2

SMILES

CC(=O)C(C)SSCc1ccco1

Molecular Weight¹

216.32

Other Names

• 3-[(2-Furylmethyl)dithio]-2-butanone

• 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	-7.91		Crippen Calculated Property
logPoct/wat	3.138		Crippen Calculated Property
McVol	158.350	ml/mol	McGowan Calculated Property
Inp	[1577.00; 1604.00]
Inp	1589.00		NIST
Inp	1604.00		NIST
Inp	1577.00		NIST
Inp	1577.00		NIST
Inp	1589.00		NIST
Inp	1604.00		NIST
I	[2352.00; 2352.00]
I	2352.00		NIST
I	2352.00		NIST
I	2352.00		NIST

Similar Compounds

Find more compounds similar to 2-furfuryl 2-oxo-3-butyl disulfide.

Sources

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

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