copper;1H-imidazole;sulfate

C3H4CuN2O4S — CID 161432361

IUPACcopper;1H-imidazole;sulfate
SMILESO=S(=O)([O-])[O-].[Cu+2].c1c[nH]cn1
InChIInChI=1S/C3H4N2.Cu.H2O4S/c1-2-5-3-4-1;;1-5(2,3)4/h1-3H,(H,4,5);;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyVYEOSHCSDHRUAB-UHFFFAOYSA-L
MW227.69 g/mol
LogP-0.93
Rot. Bonds

About copper;1H-imidazole;sulfate

copper;1H-imidazole;sulfate (PubChem CID 161432361) has the molecular formula C3H4CuN2O4S and a molecular weight of 227.69 g/mol. Its IUPAC name is copper;1H-imidazole;sulfate.

Molecular Properties

Compound Namecopper;1H-imidazole;sulfate
PubChem CID161432361
Molecular FormulaC3H4CuN2O4S
Molecular Weight227.69 g/mol
Exact Mass226.92
IUPAC Namecopper;1H-imidazole;sulfate
SMILESO=S(=O)([O-])[O-].[Cu+2].c1c[nH]cn1
InChIInChI=1S/C3H4N2.Cu.H2O4S/c1-2-5-3-4-1;;1-5(2,3)4/h1-3H,(H,4,5);;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyVYEOSHCSDHRUAB-UHFFFAOYSA-L
XLogP-0.93
TPSA108.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;1H-imidazole;sulfate?
The IUPAC name of copper;1H-imidazole;sulfate (CID 161432361) is copper;1H-imidazole;sulfate.
What is the SMILES notation for copper;1H-imidazole;sulfate?
The canonical SMILES for copper;1H-imidazole;sulfate is O=S(=O)([O-])[O-].[Cu+2].c1c[nH]cn1.
What is the InChIKey of copper;1H-imidazole;sulfate?
The InChIKey is VYEOSHCSDHRUAB-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H4N2.Cu.H2O4S/c1-2-5-3-4-1;;1-5(2,3)4/h1-3H,(H,4,5);;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of copper;1H-imidazole;sulfate?
copper;1H-imidazole;sulfate has a molecular weight of 227.69 g/mol, XLogP of -0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1H-imidazole;sulfate is sourced from PubChem (CID 161432361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).