Chemical Properties of 3-[2-Methyl-(3-thienyldithio)pentan-2-one

InChI

InChI=1S/C10H14OS3/c1-4-9(7(2)11)13-14-10-5-6-12-8(10)3/h5-6,9H,4H2,1-3H3

InChI Key

GCIGUMILPZYHLR-UHFFFAOYSA-N

Formula

C10H14OS3

SMILES

CCC(SSc1ccsc1C)C(C)=O

Molecular Weight¹

246.41

• 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
log10WS	-4.39		Crippen Calculated Property
logPoct/wat	4.164		Crippen Calculated Property
McVol	182.920	ml/mol	McGowan Calculated Property
Inp	[1780.00; 1780.00]
Inp	1780.00		NIST
Inp	1780.00		NIST

Similar Compounds

Find more compounds similar to 3-[2-Methyl-(3-thienyldithio)pentan-2-one.

Sources

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

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