2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine

C14H16N2S2 — CID 14784772

IUPAC2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine
SMILESCCSc1cccc(-c2cccc(SCC)n2)n1
InChIInChI=1S/C14H16N2S2/c1-3-17-13-9-5-7-11(15-13)12-8-6-10-14(16-12)18-4-2/h5-10H,3-4H2,1-2H3
InChIKeyIKCVPFLRAFEXCS-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.37
Rot. Bonds5

About 2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine

2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine (PubChem CID 14784772) has the molecular formula C14H16N2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine
PubChem CID14784772
Molecular FormulaC14H16N2S2
Molecular Weight276.43 g/mol
Exact Mass276.08
IUPAC Name2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine
SMILESCCSc1cccc(-c2cccc(SCC)n2)n1
InChIInChI=1S/C14H16N2S2/c1-3-17-13-9-5-7-11(15-13)12-8-6-10-14(16-12)18-4-2/h5-10H,3-4H2,1-2H3
InChIKeyIKCVPFLRAFEXCS-UHFFFAOYSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine?
The IUPAC name of 2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine (CID 14784772) is 2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine.
What is the SMILES notation for 2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine?
The canonical SMILES for 2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine is CCSc1cccc(-c2cccc(SCC)n2)n1.
What is the InChIKey of 2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine?
The InChIKey is IKCVPFLRAFEXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c1-3-17-13-9-5-7-11(15-13)12-8-6-10-14(16-12)18-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine?
2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine has a molecular weight of 276.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-(6-ethylsulfanyl-2-pyridinyl)pyridine is sourced from PubChem (CID 14784772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).