Chemical Properties of 3,7-Dimethyldibenzothiophene (CAS 1136-85-2)

InChI

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

InChI Key

ONJGEBKWOANHSB-UHFFFAOYSA-N

Formula

C14H12S

SMILES

Cc1ccc2c(c1)sc1cc(C)ccc12

Molecular Weight¹

212.31

CAS

1136-85-2

Other Names

• Dibenzothiophene, 3,7-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	[332.23; 336.02]
Inp	333.38		NIST
Inp	334.66		NIST
Inp	335.20		NIST
Inp	335.80		NIST
Inp	336.02		NIST
Inp	332.23		NIST
Inp	335.10		NIST
Inp	335.80		NIST
Inp	332.23		NIST
Inp	333.38		NIST

Similar Compounds

Find more compounds similar to 3,7-Dimethyldibenzothiophene.

Sources

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

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