2,4,6-trithiophen-2-ylpyridine

C17H11NS3 — CID 2804907

IUPAC2,4,6-trithiophen-2-ylpyridine
SMILESc1csc(-c2cc(-c3cccs3)nc(-c3cccs3)c2)c1
InChIInChI=1S/C17H11NS3/c1-4-15(19-7-1)12-10-13(16-5-2-8-20-16)18-14(11-12)17-6-3-9-21-17/h1-11H
InChIKeyXJQXSNVZHWJUIV-UHFFFAOYSA-N
MW325.48 g/mol
LogP6.27
Rot. Bonds3

About 2,4,6-trithiophen-2-ylpyridine

2,4,6-trithiophen-2-ylpyridine (PubChem CID 2804907) has the molecular formula C17H11NS3 and a molecular weight of 325.48 g/mol. Its IUPAC name is 2,4,6-trithiophen-2-ylpyridine.

Molecular Properties

Compound Name2,4,6-trithiophen-2-ylpyridine
PubChem CID2804907
Molecular FormulaC17H11NS3
Molecular Weight325.48 g/mol
Exact Mass325.01
IUPAC Name2,4,6-trithiophen-2-ylpyridine
SMILESc1csc(-c2cc(-c3cccs3)nc(-c3cccs3)c2)c1
InChIInChI=1S/C17H11NS3/c1-4-15(19-7-1)12-10-13(16-5-2-8-20-16)18-14(11-12)17-6-3-9-21-17/h1-11H
InChIKeyXJQXSNVZHWJUIV-UHFFFAOYSA-N
XLogP6.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.48
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trithiophen-2-ylpyridine?
The IUPAC name of 2,4,6-trithiophen-2-ylpyridine (CID 2804907) is 2,4,6-trithiophen-2-ylpyridine.
What is the SMILES notation for 2,4,6-trithiophen-2-ylpyridine?
The canonical SMILES for 2,4,6-trithiophen-2-ylpyridine is c1csc(-c2cc(-c3cccs3)nc(-c3cccs3)c2)c1.
What is the InChIKey of 2,4,6-trithiophen-2-ylpyridine?
The InChIKey is XJQXSNVZHWJUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NS3/c1-4-15(19-7-1)12-10-13(16-5-2-8-20-16)18-14(11-12)17-6-3-9-21-17/h1-11H.
What are the key properties of 2,4,6-trithiophen-2-ylpyridine?
2,4,6-trithiophen-2-ylpyridine has a molecular weight of 325.48 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trithiophen-2-ylpyridine is sourced from PubChem (CID 2804907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).