2-pyridin-2-yloxysulfanylphenol

C11H9NO2S — CID 70530301

IUPAC2-pyridin-2-yloxysulfanylphenol
SMILESOc1ccccc1SOc1ccccn1
InChIInChI=1S/C11H9NO2S/c13-9-5-1-2-6-10(9)15-14-11-7-3-4-8-12-11/h1-8,13H
InChIKeyGQEMVEJYSJABEQ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.87
Rot. Bonds3

About 2-pyridin-2-yloxysulfanylphenol

2-pyridin-2-yloxysulfanylphenol (PubChem CID 70530301) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-pyridin-2-yloxysulfanylphenol.

Molecular Properties

Compound Name2-pyridin-2-yloxysulfanylphenol
PubChem CID70530301
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name2-pyridin-2-yloxysulfanylphenol
SMILESOc1ccccc1SOc1ccccn1
InChIInChI=1S/C11H9NO2S/c13-9-5-1-2-6-10(9)15-14-11-7-3-4-8-12-11/h1-8,13H
InChIKeyGQEMVEJYSJABEQ-UHFFFAOYSA-N
XLogP2.87
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 175111854
CID 175111854
2-methoxypyridine
CID 71774587
dipyridin-2-yl carbonate
CID 2757370
O-pyridin-2-yl pyridin-2-ylsulfanylmethanethioate
CID 87588194
pyridin-2-yl ethaneperoxoate
CID 87694158
2-methoxypyridine;hydrobromide
CID 157413143
2-[bromo(difluoro)methoxy]pyridine
CID 66668027
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-methoxyethyl pyridin-2-yloxysulfanylformate
CID 22101681
2,2,4,4,6,6-hexapyridin-2-yloxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
CID 15773722
ethane;methane;2-methoxypyridine
CID 142448470

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yloxysulfanylphenol?
The IUPAC name of 2-pyridin-2-yloxysulfanylphenol (CID 70530301) is 2-pyridin-2-yloxysulfanylphenol.
What is the SMILES notation for 2-pyridin-2-yloxysulfanylphenol?
The canonical SMILES for 2-pyridin-2-yloxysulfanylphenol is Oc1ccccc1SOc1ccccn1.
What is the InChIKey of 2-pyridin-2-yloxysulfanylphenol?
The InChIKey is GQEMVEJYSJABEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c13-9-5-1-2-6-10(9)15-14-11-7-3-4-8-12-11/h1-8,13H.
What are the key properties of 2-pyridin-2-yloxysulfanylphenol?
2-pyridin-2-yloxysulfanylphenol has a molecular weight of 219.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yloxysulfanylphenol is sourced from PubChem (CID 70530301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).