4-pyridin-4-ylsulfanylphenol

C11H9NOS — CID 15080669

IUPAC4-pyridin-4-ylsulfanylphenol
SMILESOc1ccc(Sc2ccncc2)cc1
InChIInChI=1S/C11H9NOS/c13-9-1-3-10(4-2-9)14-11-5-7-12-8-6-11/h1-8,13H
InChIKeyLDMGNZJMTUYLQH-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.94
Rot. Bonds2

About 4-pyridin-4-ylsulfanylphenol

4-pyridin-4-ylsulfanylphenol (PubChem CID 15080669) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 4-pyridin-4-ylsulfanylphenol.

Molecular Properties

Compound Name4-pyridin-4-ylsulfanylphenol
PubChem CID15080669
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name4-pyridin-4-ylsulfanylphenol
SMILESOc1ccc(Sc2ccncc2)cc1
InChIInChI=1S/C11H9NOS/c13-9-1-3-10(4-2-9)14-11-5-7-12-8-6-11/h1-8,13H
InChIKeyLDMGNZJMTUYLQH-UHFFFAOYSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylsulfanylphenol?
The IUPAC name of 4-pyridin-4-ylsulfanylphenol (CID 15080669) is 4-pyridin-4-ylsulfanylphenol.
What is the SMILES notation for 4-pyridin-4-ylsulfanylphenol?
The canonical SMILES for 4-pyridin-4-ylsulfanylphenol is Oc1ccc(Sc2ccncc2)cc1.
What is the InChIKey of 4-pyridin-4-ylsulfanylphenol?
The InChIKey is LDMGNZJMTUYLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c13-9-1-3-10(4-2-9)14-11-5-7-12-8-6-11/h1-8,13H.
What are the key properties of 4-pyridin-4-ylsulfanylphenol?
4-pyridin-4-ylsulfanylphenol has a molecular weight of 203.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylsulfanylphenol is sourced from PubChem (CID 15080669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).