Chemical Properties of Thieno[3,2-b]thiophene (CAS 251-41-2)

InChI

InChI=1S/C6H4S2/c1-3-7-6-2-4-8-5(1)6/h1-4H

InChI Key

VJYJJHQEVLEOFL-UHFFFAOYSA-N

Formula

C6H4S2

SMILES

c1cc2sccc2s1

Molecular Weight¹

140.23

CAS

251-41-2

Other Names

• 1,4-Dithiapentalene
• 1,4-Thiophthene

• IE : Ionization energy (eV).
• 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	[8.10; 8.14]	eV
IE	8.10	eV	NIST
IE	8.10	eV	NIST
IE	8.14	eV	NIST
log10WS	-2.79		Crippen Calculated Property
logPoct/wat	2.963		Crippen Calculated Property
McVol	93.480	ml/mol	McGowan Calculated Property
Inp	[201.53; 1262.00]
Inp	1213.00		NIST
Inp	1185.00		NIST
Inp	1214.00		NIST
Inp	1262.00		NIST
Inp	Outlier 201.53		NIST
Inp	1214.00		NIST
I	[1843.00; 1876.00]
I	1872.00		NIST
I	1876.00		NIST
I	1843.00		NIST

Similar Compounds

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