Chemical Properties of Naphtho[1,2-b]thiophene (CAS 234-41-3)

InChI

InChI=1S/C12H8S/c1-2-4-11-9(3-1)5-6-10-7-8-13-12(10)11/h1-8H

InChI Key

XHYRHAQEXJIVJX-UHFFFAOYSA-N

Formula

C12H8S

SMILES

c1ccc2c(c1)ccc1ccsc12

Molecular Weight¹

184.26

CAS

234-41-3

Other Names

• 6,7-Benzothionaphthene

• 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	-4.84		Crippen Calculated Property
logPoct/wat	4.054		Crippen Calculated Property
McVol	137.910	ml/mol	McGowan Calculated Property
Inp	[292.86; 295.80]
Inp	295.52		NIST
Inp	295.80		NIST
Inp	294.26		NIST
Inp	293.28		NIST
Inp	292.86		NIST

Similar Compounds

Find more compounds similar to Naphtho[1,2-b]thiophene.

Sources

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

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