zinc bis(1-oxidopyridine-2-thione)

C10H8N2O2S2Zn — CID 3005837

IUPACzinc bis(1-oxidopyridine-2-thione)
SMILES[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]
InChIInChI=1S/2C5H4NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4H;/q2*-1;+2
InChIKeyPICXIOQBANWBIZ-UHFFFAOYSA-N
MW317.71 g/mol
LogP3.12
Rot. Bonds

About zinc bis(1-oxidopyridine-2-thione)

zinc bis(1-oxidopyridine-2-thione) (PubChem CID 3005837) has the molecular formula C10H8N2O2S2Zn and a molecular weight of 317.71 g/mol. Its IUPAC name is zinc bis(1-oxidopyridine-2-thione).

Molecular Properties

Compound Namezinc bis(1-oxidopyridine-2-thione)
PubChem CID3005837
Molecular FormulaC10H8N2O2S2Zn
Molecular Weight317.71 g/mol
Exact Mass315.93
IUPAC Namezinc bis(1-oxidopyridine-2-thione)
SMILES[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2]
InChIInChI=1S/2C5H4NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4H;/q2*-1;+2
InChIKeyPICXIOQBANWBIZ-UHFFFAOYSA-N
XLogP3.12
TPSA55.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis(1-oxidopyridine-2-thione)?
The IUPAC name of zinc bis(1-oxidopyridine-2-thione) (CID 3005837) is zinc bis(1-oxidopyridine-2-thione).
What is the SMILES notation for zinc bis(1-oxidopyridine-2-thione)?
The canonical SMILES for zinc bis(1-oxidopyridine-2-thione) is [O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2].
What is the InChIKey of zinc bis(1-oxidopyridine-2-thione)?
The InChIKey is PICXIOQBANWBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4H;/q2*-1;+2.
What are the key properties of zinc bis(1-oxidopyridine-2-thione)?
zinc bis(1-oxidopyridine-2-thione) has a molecular weight of 317.71 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(1-oxidopyridine-2-thione) is sourced from PubChem (CID 3005837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).