Chemical Properties of Benzo[b]naphtho[2,3-d]thiophene (CAS 243-46-9)

InChI

InChI=1S/C16H10S/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-10H

InChI Key

UWMISBRPSJFHIR-UHFFFAOYSA-N

Formula

C16H10S

SMILES

c1ccc2cc3c(cc2c1)sc1ccccc13

Molecular Weight¹

234.32

CAS

243-46-9

Other Names

• Benzo[b]naphto[2,3-d]thiophene
• Benzo[b]naphtho[2,3]thiophene
• Benzo[a]naphtho[2,3-d]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	-6.64		Crippen Calculated Property
logPoct/wat	5.208		Crippen Calculated Property
McVol	174.810	ml/mol	McGowan Calculated Property
Inp	[359.59; 395.97]
Inp	395.76		NIST
Inp	395.59		NIST
Inp	395.20		NIST
Inp	395.90		NIST
Inp	395.60		NIST
Inp	395.59		NIST
Inp	395.79		NIST
Inp	395.61		NIST
Inp	395.97		NIST
Inp	394.76		NIST
Inp	Outlier 359.59		NIST
Inp	394.76		NIST
Inp	395.61		NIST
Inp	395.50		NIST
Inp	393.59		NIST
Inp	395.20		NIST
Inp	395.69		NIST
Inp	395.70		NIST
Inp	395.40		NIST
Inp	395.20		NIST
Inp	393.17		NIST

Similar Compounds

Find more compounds similar to Benzo[b]naphtho[2,3-d]thiophene.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.