Chemical Properties of Benzo[b]thiophene, 4-nonyl

InChI

InChI=1S/C17H24S/c1-2-3-4-5-6-7-8-10-15-11-9-12-17-16(15)13-14-18-17/h9,11-14H,2-8,10H2,1H3

InChI Key

BRFXDRPYWVUZKV-UHFFFAOYSA-N

Formula

C17H24S

SMILES

CCCCCCCCCc1cccc2sccc12

Molecular Weight¹

260.44

Other Names

• 4-Nonylbenzo[b]thiophene

• 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	-6.77		Crippen Calculated Property
logPoct/wat	6.194		Crippen Calculated Property
McVol	227.820	ml/mol	McGowan Calculated Property
Inp	[2089.00; 2089.00]
Inp	2089.00		NIST
Inp	2089.00		NIST

Similar Compounds

Find more compounds similar to Benzo[b]thiophene, 4-nonyl.

Sources

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

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