Chemical Properties of 1,7-Dimethyldibenzothiophene (CAS 89816-53-5)

InChI

InChI=1S/C14H12S/c1-9-6-7-11-13(8-9)15-12-5-3-4-10(2)14(11)12/h3-8H,1-2H3

InChI Key

VFQYQNKOTDCRKH-UHFFFAOYSA-N

Formula

C14H12S

SMILES

Cc1ccc2c(c1)sc1cccc(C)c12

Molecular Weight¹

212.31

CAS

89816-53-5

Other Names

• Dibenzothiophene, 1,7-dimethyl

• 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	-5.79		Crippen Calculated Property
logPoct/wat	4.671		Crippen Calculated Property
McVol	166.090	ml/mol	McGowan Calculated Property
Inp	[335.55; 339.40]
Inp	337.21		NIST
Inp	338.93		NIST
Inp	339.36		NIST
Inp	335.55		NIST
Inp	339.40		NIST
Inp	337.21		NIST

Similar Compounds

Find more compounds similar to 1,7-Dimethyldibenzothiophene.

Sources

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

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