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

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	190.66	kJ/mol	Relay (1.0) Calculated Property
IE	[8.10; 8.14]	eV
IE	8.10	eV	NIST
IE	8.10	eV	NIST
IE	8.14	eV	NIST
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	1262.00		NIST
Inp	1214.00		NIST
Inp	1213.00		NIST
I	[1843.00; 1876.00]
I	1872.00		NIST
I	1876.00		NIST
I	1843.00		NIST
Tboil	492.91	K	Relay (1.0) Calculated Property
Tfus	368.38	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.