Chemical Properties of 2-Phenyldibenzothiophene

InChI

InChI=1S/C18H12S/c1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18/h1-12H

InChI Key

NCCZPCNIFWBWKC-UHFFFAOYSA-N

Formula

C18H12S

SMILES

c1ccc(-c2ccc3sc4ccccc4c3c2)cc1

Molecular Weight¹

260.35

• 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	-7.44		Crippen Calculated Property
logPoct/wat	5.721		Crippen Calculated Property
McVol	198.690	ml/mol	McGowan Calculated Property
Inp	[418.05; 418.05]
Inp	418.05		NIST
Inp	418.05		NIST

Similar Compounds

Find more compounds similar to 2-Phenyldibenzothiophene.

Sources

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

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