zinc bis(pyridine-3-thiolate)

C10H8N2S2Zn — CID 28314

IUPACzinc bis(pyridine-3-thiolate)
SMILES[S-]c1cccnc1.[S-]c1cccnc1.[Zn+2]
InChIInChI=1S/2C5H5NS.Zn/c2*7-5-2-1-3-6-4-5;/h2*1-4,7H;/q;;+2/p-2
InChIKeyRSASPNDBSGNXNK-UHFFFAOYSA-L
MW285.71 g/mol
LogP1.97
Rot. Bonds

About zinc bis(pyridine-3-thiolate)

zinc bis(pyridine-3-thiolate) (PubChem CID 28314) has the molecular formula C10H8N2S2Zn and a molecular weight of 285.71 g/mol. Its IUPAC name is zinc bis(pyridine-3-thiolate).

Molecular Properties

Compound Namezinc bis(pyridine-3-thiolate)
PubChem CID28314
Molecular FormulaC10H8N2S2Zn
Molecular Weight285.71 g/mol
Exact Mass283.94
IUPAC Namezinc bis(pyridine-3-thiolate)
SMILES[S-]c1cccnc1.[S-]c1cccnc1.[Zn+2]
InChIInChI=1S/2C5H5NS.Zn/c2*7-5-2-1-3-6-4-5;/h2*1-4,7H;/q;;+2/p-2
InChIKeyRSASPNDBSGNXNK-UHFFFAOYSA-L
XLogP1.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis(pyridine-3-thiolate)?
The IUPAC name of zinc bis(pyridine-3-thiolate) (CID 28314) is zinc bis(pyridine-3-thiolate).
What is the SMILES notation for zinc bis(pyridine-3-thiolate)?
The canonical SMILES for zinc bis(pyridine-3-thiolate) is [S-]c1cccnc1.[S-]c1cccnc1.[Zn+2].
What is the InChIKey of zinc bis(pyridine-3-thiolate)?
The InChIKey is RSASPNDBSGNXNK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H5NS.Zn/c2*7-5-2-1-3-6-4-5;/h2*1-4,7H;/q;;+2/p-2.
What are the key properties of zinc bis(pyridine-3-thiolate)?
zinc bis(pyridine-3-thiolate) has a molecular weight of 285.71 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(pyridine-3-thiolate) is sourced from PubChem (CID 28314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).