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

• 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	-2.99		Crippen 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
Inp	1249.00		NIST

Similar Compounds

Find more compounds similar to Triophene-2-thiol, 2-methylpropyl ether.

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.