2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine

C15H17NS — CID 778822

IUPAC2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine
SMILESCc1ccc(SCCc2ccc(C)nc2)cc1
InChIInChI=1S/C15H17NS/c1-12-3-7-15(8-4-12)17-10-9-14-6-5-13(2)16-11-14/h3-8,11H,9-10H2,1-2H3
InChIKeySAPIJCWGFNPJIN-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.03
Rot. Bonds4

About 2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine

2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine (PubChem CID 778822) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine
PubChem CID778822
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine
SMILESCc1ccc(SCCc2ccc(C)nc2)cc1
InChIInChI=1S/C15H17NS/c1-12-3-7-15(8-4-12)17-10-9-14-6-5-13(2)16-11-14/h3-8,11H,9-10H2,1-2H3
InChIKeySAPIJCWGFNPJIN-UHFFFAOYSA-N
XLogP4.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine?
The IUPAC name of 2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine (CID 778822) is 2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine.
What is the SMILES notation for 2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine?
The canonical SMILES for 2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine is Cc1ccc(SCCc2ccc(C)nc2)cc1.
What is the InChIKey of 2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine?
The InChIKey is SAPIJCWGFNPJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-12-3-7-15(8-4-12)17-10-9-14-6-5-13(2)16-11-14/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine?
2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine has a molecular weight of 243.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(4-methylphenyl)sulfanylethyl]pyridine is sourced from PubChem (CID 778822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).