4-pyridin-4-ylsulfanylpyridine

C10H8N2S — CID 604650

IUPAC4-pyridin-4-ylsulfanylpyridine
SMILESc1cc(Sc2ccncc2)ccn1
InChIInChI=1S/C10H8N2S/c1-5-11-6-2-9(1)13-10-3-7-12-8-4-10/h1-8H
InChIKeyXGJOFCCBFCHEHK-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.63
Rot. Bonds2

About 4-pyridin-4-ylsulfanylpyridine

4-pyridin-4-ylsulfanylpyridine (PubChem CID 604650) has the molecular formula C10H8N2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 4-pyridin-4-ylsulfanylpyridine.

Molecular Properties

Compound Name4-pyridin-4-ylsulfanylpyridine
PubChem CID604650
Molecular FormulaC10H8N2S
Molecular Weight188.25 g/mol
Exact Mass188.04
IUPAC Name4-pyridin-4-ylsulfanylpyridine
SMILESc1cc(Sc2ccncc2)ccn1
InChIInChI=1S/C10H8N2S/c1-5-11-6-2-9(1)13-10-3-7-12-8-4-10/h1-8H
InChIKeyXGJOFCCBFCHEHK-UHFFFAOYSA-N
XLogP2.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylsulfanylpyridine?
The IUPAC name of 4-pyridin-4-ylsulfanylpyridine (CID 604650) is 4-pyridin-4-ylsulfanylpyridine.
What is the SMILES notation for 4-pyridin-4-ylsulfanylpyridine?
The canonical SMILES for 4-pyridin-4-ylsulfanylpyridine is c1cc(Sc2ccncc2)ccn1.
What is the InChIKey of 4-pyridin-4-ylsulfanylpyridine?
The InChIKey is XGJOFCCBFCHEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S/c1-5-11-6-2-9(1)13-10-3-7-12-8-4-10/h1-8H.
What are the key properties of 4-pyridin-4-ylsulfanylpyridine?
4-pyridin-4-ylsulfanylpyridine has a molecular weight of 188.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylsulfanylpyridine is sourced from PubChem (CID 604650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).