Chemical Properties of Triphenyleno[1,2-b]thiophene (CAS 80819-44-9)

InChI

InChI=1S/C20H12S/c1-2-7-16-14(5-1)15-6-3-4-8-17(15)19-18(16)10-9-13-11-12-21-20(13)19/h1-12H

InChI Key

IKWFSZKYQGCWJL-UHFFFAOYSA-N

Formula

C20H12S

SMILES

c1ccc2c(c1)c1ccccc1c1c2ccc2ccsc21

Molecular Weight¹

284.37

CAS

80819-44-9

• 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	-8.45		Crippen Calculated Property
logPoct/wat	6.361		Crippen Calculated Property
McVol	211.710	ml/mol	McGowan Calculated Property
Inp	[490.90; 494.41]
Inp	491.93		NIST
Inp	493.40		NIST
Inp	494.41		NIST
Inp	491.50		NIST
Inp	490.90		NIST
Inp	491.50		NIST
Inp	491.93		NIST

Similar Compounds

Find more compounds similar to Triphenyleno[1,2-b]thiophene.

Sources

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

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