Chemical Properties of 2-(1-Mercaptoethyl)furan

InChI

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

InChI Key

PIIMQPHZYYVEMS-UHFFFAOYSA-N

Formula

C6H8OS

SMILES

CC(S)c1ccco1

Molecular Weight¹

128.19

• 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	-6.54		Crippen Calculated Property
logPoct/wat	2.270		Crippen Calculated Property
McVol	98.160	ml/mol	McGowan Calculated Property
Inp	[926.00; 951.00]
Inp	951.00		NIST
Inp	951.00		NIST
Inp	951.00		NIST
Inp	926.00		NIST
Inp	926.00		NIST
Inp	951.00		NIST
I	[1396.00; 1413.00]
I	1396.00		NIST
I	1396.00		NIST
I	1396.00		NIST
I	1413.00		NIST
I	1413.00		NIST

Similar Compounds

Find more compounds similar to 2-(1-Mercaptoethyl)furan.

Sources

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

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