Chemical Properties of Naphtho[2,3-b]thiophene, 4,9-dimethyl- (CAS 16587-34-1)

InChI

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

InChI Key

VFABQOLTPSBUSZ-UHFFFAOYSA-N

Formula

C14H12S

SMILES

Cc1c2ccccc2c(C)c2sccc12

Molecular Weight¹

212.31

CAS

16587-34-1

Other Names

• 4,9-Dimethylnaphtho[2,3-b]thiophene
• 4,9-Dimethyl-naptho[2,3«beta»]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	-5.79		Crippen Calculated Property
logPoct/wat	4.671		Crippen Calculated Property
McVol	166.090	ml/mol	McGowan Calculated Property
Inp	[1896.00; 1991.00]
Inp	1991.00		NIST
Inp	1896.00		NIST
Inp	1896.00		NIST
Inp	1991.00		NIST

Similar Compounds

Find more compounds similar to Naphtho[2,3-b]thiophene, 4,9-dimethyl-.

Sources

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

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