Chemical Properties of Benzo[b]thiophene, 2-(2-naphthalenyl)- (CAS 17164-77-1)

InChI

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

InChI Key

VXNMJAGOXHIGRF-UHFFFAOYSA-N

Formula

C18H12S

SMILES

c1ccc2cc(-c3cc4ccccc4s3)ccc2c1

Molecular Weight¹

260.35

CAS

17164-77-1

Other Names

• Benzo[b]thiophene, 2-(2-naphthyl)-
• 2-(2-Naphthyl)benzo[b]thiophene
• 2-(2-Naphthyl)-1-thiaindene
• 2-(2-Naphthyl)-1-benzothiophene
• 2-(2-Naphthalenyl)benzo[b]thiophene
• 2-(2'-naphthyl)-benzo[b]thiophene
• 2-(2-Naphthyl)benzothiophene

• 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	[425.50; 430.65]
Inp	430.65		NIST
Inp	428.11		NIST
Inp	425.50		NIST
Inp	430.65		NIST

Similar Compounds

Find more compounds similar to Benzo[b]thiophene, 2-(2-naphthalenyl)-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.