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

C10H10CuN2O2S2 — CID 517214

IUPACcopper;bis(1-hydroxypyridine-2-thione)
SMILESOn1ccccc1=S.On1ccccc1=S.[Cu]
InChIInChI=1S/2C5H5NOS.Cu/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,7H;
InChIKeyQHNCWVQDOPICKC-UHFFFAOYSA-N
MW317.88 g/mol
LogP2.91
Rot. Bonds

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

copper;bis(1-hydroxypyridine-2-thione) (PubChem CID 517214) has the molecular formula C10H10CuN2O2S2 and a molecular weight of 317.88 g/mol. Its IUPAC name is copper;bis(1-hydroxypyridine-2-thione).

Molecular Properties

Compound Namecopper;bis(1-hydroxypyridine-2-thione)
PubChem CID517214
Molecular FormulaC10H10CuN2O2S2
Molecular Weight317.88 g/mol
Exact Mass316.95
IUPAC Namecopper;bis(1-hydroxypyridine-2-thione)
SMILESOn1ccccc1=S.On1ccccc1=S.[Cu]
InChIInChI=1S/2C5H5NOS.Cu/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,7H;
InChIKeyQHNCWVQDOPICKC-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 ≤ 500317.88
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 copper;bis(1-hydroxypyridine-2-thione)?
The IUPAC name of copper;bis(1-hydroxypyridine-2-thione) (CID 517214) is copper;bis(1-hydroxypyridine-2-thione).
What is the SMILES notation for copper;bis(1-hydroxypyridine-2-thione)?
The canonical SMILES for copper;bis(1-hydroxypyridine-2-thione) is On1ccccc1=S.On1ccccc1=S.[Cu].
What is the InChIKey of copper;bis(1-hydroxypyridine-2-thione)?
The InChIKey is QHNCWVQDOPICKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5NOS.Cu/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,7H;.
What are the key properties of copper;bis(1-hydroxypyridine-2-thione)?
copper;bis(1-hydroxypyridine-2-thione) has a molecular weight of 317.88 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 copper;bis(1-hydroxypyridine-2-thione) is sourced from PubChem (CID 517214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).