zinc bis(1-oxidopyridin-1-ium-2-thiolate)

C10H8N2O2S2Zn — CID 26041

IUPACzinc bis(1-oxidopyridin-1-ium-2-thiolate)
SMILES[O-][n+]1ccccc1[S-].[O-][n+]1ccccc1[S-].[Zn+2]
InChIInChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2
InChIKeyOTPSWLRZXRHDNX-UHFFFAOYSA-L
MW317.71 g/mol
LogP0.45
Rot. Bonds

About zinc bis(1-oxidopyridin-1-ium-2-thiolate)

zinc bis(1-oxidopyridin-1-ium-2-thiolate) (PubChem CID 26041) has the molecular formula C10H8N2O2S2Zn and a molecular weight of 317.71 g/mol. Its IUPAC name is zinc bis(1-oxidopyridin-1-ium-2-thiolate).

Molecular Properties

Compound Namezinc bis(1-oxidopyridin-1-ium-2-thiolate)
PubChem CID26041
Molecular FormulaC10H8N2O2S2Zn
Molecular Weight317.71 g/mol
Exact Mass315.93
IUPAC Namezinc bis(1-oxidopyridin-1-ium-2-thiolate)
SMILES[O-][n+]1ccccc1[S-].[O-][n+]1ccccc1[S-].[Zn+2]
InChIInChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2
InChIKeyOTPSWLRZXRHDNX-UHFFFAOYSA-L
XLogP0.45
TPSA53.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', '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(1-oxidopyridin-1-ium-2-thiolate)?
The IUPAC name of zinc bis(1-oxidopyridin-1-ium-2-thiolate) (CID 26041) is zinc bis(1-oxidopyridin-1-ium-2-thiolate).
What is the SMILES notation for zinc bis(1-oxidopyridin-1-ium-2-thiolate)?
The canonical SMILES for zinc bis(1-oxidopyridin-1-ium-2-thiolate) is [O-][n+]1ccccc1[S-].[O-][n+]1ccccc1[S-].[Zn+2].
What is the InChIKey of zinc bis(1-oxidopyridin-1-ium-2-thiolate)?
The InChIKey is OTPSWLRZXRHDNX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2.
What are the key properties of zinc bis(1-oxidopyridin-1-ium-2-thiolate)?
zinc bis(1-oxidopyridin-1-ium-2-thiolate) has a molecular weight of 317.71 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(1-oxidopyridin-1-ium-2-thiolate) is sourced from PubChem (CID 26041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).