Chemical Properties of ethyl-benzothiophene (CAS 54385-63-6)

InChI

InChI=1S/C10H10S/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3

InChI Key

JAABUGUCYZQMID-UHFFFAOYSA-N

Formula

C10H10S

SMILES

CCc1cc2ccccc2s1

Molecular Weight¹

162.25

CAS

54385-63-6

• 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	-3.84		Crippen Calculated Property
logPoct/wat	3.464		Crippen Calculated Property
McVol	129.190	ml/mol	McGowan Calculated Property
Inp	[235.00; 237.40]
Inp	235.00		NIST
Inp	237.40		NIST
Inp	235.00		NIST

Similar Compounds

Find more compounds similar to ethyl-benzothiophene.

Sources

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

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