Chemical Properties of 2,5-Dimethyl-3-furanthiol (CAS 55764-23-3)

InChI

InChI=1S/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H3

InChI Key

DBBHCZMXKBCICL-UHFFFAOYSA-N

Formula

C6H8OS

SMILES

Cc1cc(S)c(C)o1

Molecular Weight¹

128.19

CAS

55764-23-3

Other Names

• 2,5-dimethylfuran-3-thiol
• 3-Furanthiol, 2,5-dimethyl-

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.23 ± 0.05	eV	NIST
log10WS	-6.67		Crippen Calculated Property
logPoct/wat	2.185		Crippen Calculated Property
McVol	98.160	ml/mol	McGowan Calculated Property
Inp	[951.00; 968.00]
Inp	951.00		NIST
Inp	968.00		NIST
Inp	968.00		NIST
Inp	951.00		NIST
Inp	951.00		NIST

Similar Compounds

Find more compounds similar to 2,5-Dimethyl-3-furanthiol.

Sources

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

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