2-pyridin-2-ylbenzenethiolate;zinc

C11H8NSZn- — CID 59680551

IUPAC2-pyridin-2-ylbenzenethiolate;zinc
SMILES[S-]c1ccccc1-c1ccccn1.[Zn]
InChIInChI=1S/C11H9NS.Zn/c13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-8,13H;/p-1
InChIKeyOFOLDUJXWGOYCJ-UHFFFAOYSA-M
MW251.65 g/mol
LogP2.65
Rot. Bonds1

About 2-pyridin-2-ylbenzenethiolate;zinc

2-pyridin-2-ylbenzenethiolate;zinc (PubChem CID 59680551) has the molecular formula C11H8NSZn- and a molecular weight of 251.65 g/mol. Its IUPAC name is 2-pyridin-2-ylbenzenethiolate;zinc.

Molecular Properties

Compound Name2-pyridin-2-ylbenzenethiolate;zinc
PubChem CID59680551
Molecular FormulaC11H8NSZn-
Molecular Weight251.65 g/mol
Exact Mass249.97
IUPAC Name2-pyridin-2-ylbenzenethiolate;zinc
SMILES[S-]c1ccccc1-c1ccccn1.[Zn]
InChIInChI=1S/C11H9NS.Zn/c13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-8,13H;/p-1
InChIKeyOFOLDUJXWGOYCJ-UHFFFAOYSA-M
XLogP2.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.65
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)pyridine
CID 144596153
2-[2-[2-(2-pyridin-2-ylphenyl)ethenyl]phenyl]pyridine
CID 154584408
2-pyridin-2-ylphenol;hydrate
CID 175244966
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
cesium 2,6-dipyridin-2-ylphenolate
CID 59522981
2,3-dipyridin-2-ylpyridine;platinum
CID 87064106

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylbenzenethiolate;zinc?
The IUPAC name of 2-pyridin-2-ylbenzenethiolate;zinc (CID 59680551) is 2-pyridin-2-ylbenzenethiolate;zinc.
What is the SMILES notation for 2-pyridin-2-ylbenzenethiolate;zinc?
The canonical SMILES for 2-pyridin-2-ylbenzenethiolate;zinc is [S-]c1ccccc1-c1ccccn1.[Zn].
What is the InChIKey of 2-pyridin-2-ylbenzenethiolate;zinc?
The InChIKey is OFOLDUJXWGOYCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NS.Zn/c13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;/h1-8,13H;/p-1.
What are the key properties of 2-pyridin-2-ylbenzenethiolate;zinc?
2-pyridin-2-ylbenzenethiolate;zinc has a molecular weight of 251.65 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylbenzenethiolate;zinc is sourced from PubChem (CID 59680551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).