pyridine-2-thiolate;zinc;hydrate

C5H6NOSZn- — CID 68685119

IUPACpyridine-2-thiolate;zinc;hydrate
SMILESO.[S-]c1ccccn1.[Zn]
InChIInChI=1S/C5H5NS.H2O.Zn/c7-5-3-1-2-4-6-5;;/h1-4H,(H,6,7);1H2;/p-1
InChIKeyRIWSUEDNFVQESK-UHFFFAOYSA-M
MW193.57 g/mol
LogP0.16
Rot. Bonds

About pyridine-2-thiolate;zinc;hydrate

pyridine-2-thiolate;zinc;hydrate (PubChem CID 68685119) has the molecular formula C5H6NOSZn- and a molecular weight of 193.57 g/mol. Its IUPAC name is pyridine-2-thiolate;zinc;hydrate.

Molecular Properties

Compound Namepyridine-2-thiolate;zinc;hydrate
PubChem CID68685119
Molecular FormulaC5H6NOSZn-
Molecular Weight193.57 g/mol
Exact Mass191.95
IUPAC Namepyridine-2-thiolate;zinc;hydrate
SMILESO.[S-]c1ccccn1.[Zn]
InChIInChI=1S/C5H5NS.H2O.Zn/c7-5-3-1-2-4-6-5;;/h1-4H,(H,6,7);1H2;/p-1
InChIKeyRIWSUEDNFVQESK-UHFFFAOYSA-M
XLogP0.16
TPSA44.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.57
LogP ≤ 50.16
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

platinum(2+);bis(pyridine-2-thiolate)
CID 12713197
hexasilver;hexakis(pyridine-2-thiolate)
CID 139065336
2-pyridin-2-ylbenzenethiolate;zinc
CID 59680551
pyridine-2-carbonitrile;zinc
CID 161067493
pyrimidine-2-thiolate
CID 3697931
hexakis(dipyridin-2-ylazanide);bis(lanthanum(3+))
CID 139175842
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of pyridine-2-thiolate;zinc;hydrate?
The IUPAC name of pyridine-2-thiolate;zinc;hydrate (CID 68685119) is pyridine-2-thiolate;zinc;hydrate.
What is the SMILES notation for pyridine-2-thiolate;zinc;hydrate?
The canonical SMILES for pyridine-2-thiolate;zinc;hydrate is O.[S-]c1ccccn1.[Zn].
What is the InChIKey of pyridine-2-thiolate;zinc;hydrate?
The InChIKey is RIWSUEDNFVQESK-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NS.H2O.Zn/c7-5-3-1-2-4-6-5;;/h1-4H,(H,6,7);1H2;/p-1.
What are the key properties of pyridine-2-thiolate;zinc;hydrate?
pyridine-2-thiolate;zinc;hydrate has a molecular weight of 193.57 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2-thiolate;zinc;hydrate is sourced from PubChem (CID 68685119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).