Chemical Properties of Pyrazine, 2-pentyl-3-phenylthio

InChI

InChI=1S/C15H18N2S/c1-2-3-5-10-14-15(17-12-11-16-14)18-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3

InChI Key

FOIHOLTYNMLOGQ-UHFFFAOYSA-N

Formula

C15H18N2S

SMILES

CCCCCc1nccnc1Sc1ccccc1

Molecular Weight¹

258.38

• 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
log10WS	-5.48		Crippen Calculated Property
logPoct/wat	4.361		Crippen Calculated Property
McVol	211.000	ml/mol	McGowan Calculated Property
Inp	[2012.00; 2012.00]
Inp	2012.00		NIST
Inp	2012.00		NIST
I	[2717.00; 2717.00]
I	2717.00		NIST
I	2717.00		NIST

Similar Compounds

Find more compounds similar to Pyrazine, 2-pentyl-3-phenylthio.

Sources

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

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