calcium;copper;sulfate

CaCuO4S — CID 173106977

IUPACcalcium;copper;sulfate
SMILESO=S(=O)([O-])[O-].[Ca+2].[Cu]
InChIInChI=1S/Ca.Cu.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q+2;;/p-2
InChIKeyHFMMINOQNZAQKY-UHFFFAOYSA-L
MW199.69 g/mol
LogP-1.72
Rot. Bonds

About calcium;copper;sulfate

calcium;copper;sulfate (PubChem CID 173106977) has the molecular formula CaCuO4S and a molecular weight of 199.69 g/mol. Its IUPAC name is calcium;copper;sulfate.

Molecular Properties

Compound Namecalcium;copper;sulfate
PubChem CID173106977
Molecular FormulaCaCuO4S
Molecular Weight199.69 g/mol
Exact Mass198.84
IUPAC Namecalcium;copper;sulfate
SMILESO=S(=O)([O-])[O-].[Ca+2].[Cu]
InChIInChI=1S/Ca.Cu.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q+2;;/p-2
InChIKeyHFMMINOQNZAQKY-UHFFFAOYSA-L
XLogP-1.72
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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calcium;potassium;sodium;disulfate
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calcium;potassium;hydroxide;sulfate
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Frequently Asked Questions

What is the IUPAC name of calcium;copper;sulfate?
The IUPAC name of calcium;copper;sulfate (CID 173106977) is calcium;copper;sulfate.
What is the SMILES notation for calcium;copper;sulfate?
The canonical SMILES for calcium;copper;sulfate is O=S(=O)([O-])[O-].[Ca+2].[Cu].
What is the InChIKey of calcium;copper;sulfate?
The InChIKey is HFMMINOQNZAQKY-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.Cu.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q+2;;/p-2.
What are the key properties of calcium;copper;sulfate?
calcium;copper;sulfate has a molecular weight of 199.69 g/mol, XLogP of -1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;copper;sulfate is sourced from PubChem (CID 173106977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).