Chemical Properties of Naphtho[2,3-b]thiophene (CAS 268-77-9)

InChI

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

InChI Key

CYKIHIBNSFRKQP-UHFFFAOYSA-N

Formula

C12H8S

SMILES

c1ccc2cc3sccc3cc2c1

Molecular Weight¹

184.26

CAS

268-77-9

Other Names

• Naphtha[2,3-b]thiophene
• thiaphanthrene
• thiophanthrene

• 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.
• T_fus : Normal melting (fusion) point (K).
• 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	[303.56; 304.56]
Inp	304.56		NIST
Inp	304.10		NIST
Inp	304.46		NIST
Inp	304.47		NIST
Inp	304.28		NIST
Inp	304.10		NIST
Inp	304.28		NIST
Inp	Outlier 303.56		NIST
Inp	304.33		NIST
Inp	304.28		NIST
Tfus	461.70	K	Reconci...

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Reconciled thermophysical data for anthracene
• 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.