Chemical Properties of Anthra(1,2-b)thiophene (CAS 227-86-1)

InChI

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

InChI Key

NMWGLCVKRMOELQ-UHFFFAOYSA-N

Formula

C16H10S

SMILES

c1ccc2cc3c(ccc4ccsc43)cc2c1

Molecular Weight¹

234.32

CAS

227-86-1

Other Names

• Anthro[1,2-b]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	[395.34; 395.39]
Inp	395.36		NIST
Inp	395.34		NIST
Inp	395.39		NIST

Similar Compounds

Find more compounds similar to Anthra(1,2-b)thiophene.

Sources

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

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