Chemical Properties of Phenanthro(3,2-b)thiophene (CAS 224-10-2)

InChI

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

InChI Key

BKDNKFGDTSYPHA-UHFFFAOYSA-N

Formula

C16H10S

SMILES

c1ccc2c(c1)ccc1cc3ccsc3cc12

Molecular Weight¹

234.32

CAS

224-10-2

• 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	[401.49; 401.89]
Inp	401.60		NIST
Inp	401.49		NIST
Inp	401.78		NIST
Inp	401.52		NIST
Inp	401.89		NIST
Inp	401.60		NIST

Similar Compounds

Find more compounds similar to Phenanthro(3,2-b)thiophene.

Sources

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

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