Chemical Properties of Phenanthro[4,3-b]thiophene (CAS 195-68-6)

InChI

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

InChI Key

HVDXWEZIEYUOMI-UHFFFAOYSA-N

Formula

C16H10S

SMILES

c1ccc2c(c1)ccc1ccc3ccsc3c12

Molecular Weight¹

234.32

CAS

195-68-6

• 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	[394.30; 395.34]
Inp	395.34		NIST
Inp	394.64		NIST
Inp	395.20		NIST
Inp	395.16		NIST
Inp	395.03		NIST
Inp	395.10		NIST
Inp	Outlier 394.30		NIST
Inp	395.10		NIST

Similar Compounds

Find more compounds similar to Phenanthro[4,3-b]thiophene.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.