bis(1-hydroxypyridine-2-thione);zinc

C10H10N2O2S2Zn — CID 500025

IUPACbis(1-hydroxypyridine-2-thione);zinc
SMILESOn1ccccc1=S.On1ccccc1=S.[Zn]
InChIInChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,7H;
InChIKeyJVAIRLPQTSEMRF-UHFFFAOYSA-N
MW319.73 g/mol
LogP2.91
Rot. Bonds

About bis(1-hydroxypyridine-2-thione);zinc

bis(1-hydroxypyridine-2-thione);zinc (PubChem CID 500025) has the molecular formula C10H10N2O2S2Zn and a molecular weight of 319.73 g/mol. Its IUPAC name is bis(1-hydroxypyridine-2-thione);zinc.

Molecular Properties

Compound Namebis(1-hydroxypyridine-2-thione);zinc
PubChem CID500025
Molecular FormulaC10H10N2O2S2Zn
Molecular Weight319.73 g/mol
Exact Mass317.95
IUPAC Namebis(1-hydroxypyridine-2-thione);zinc
SMILESOn1ccccc1=S.On1ccccc1=S.[Zn]
InChIInChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,7H;
InChIKeyJVAIRLPQTSEMRF-UHFFFAOYSA-N
XLogP2.91
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.73
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1-hydroxypyridine-2-thione);zinc?
The IUPAC name of bis(1-hydroxypyridine-2-thione);zinc (CID 500025) is bis(1-hydroxypyridine-2-thione);zinc.
What is the SMILES notation for bis(1-hydroxypyridine-2-thione);zinc?
The canonical SMILES for bis(1-hydroxypyridine-2-thione);zinc is On1ccccc1=S.On1ccccc1=S.[Zn].
What is the InChIKey of bis(1-hydroxypyridine-2-thione);zinc?
The InChIKey is JVAIRLPQTSEMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,7H;.
What are the key properties of bis(1-hydroxypyridine-2-thione);zinc?
bis(1-hydroxypyridine-2-thione);zinc has a molecular weight of 319.73 g/mol, XLogP of 2.91, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-hydroxypyridine-2-thione);zinc is sourced from PubChem (CID 500025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).