Chemical Properties of Triophene-2-thiol, 2-methylpropyl ether

InChI

InChI=1S/C8H12S2/c1-7(2)6-10-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3

InChI Key

JZNYNFIKHPANKO-UHFFFAOYSA-N

Formula

C8H12S2

SMILES

CC(C)CSc1cccs1

Molecular Weight¹

172.31

Other Names

• 2-(isobutylsulfanyl)thiophene

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.03	eV	Relay (1.0) Calculated Property
logPoct/wat	3.496		Crippen Calculated Property
McVol	136.820	ml/mol	McGowan Calculated Property
Inp	[1236.00; 1272.00]
Inp	1249.00		NIST
Inp	1253.00		NIST
Inp	1258.00		NIST
Inp	1249.00		NIST
Inp	Outlier 1272.00		NIST
Inp	1242.00		NIST
Inp	1236.00		NIST
Inp	1244.00		NIST
Tboil	494.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 Triophene-2-thiol, 2-methylpropyl ether.

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.
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