copper;disulfate;hydrate

H2CuO9S2-2 — CID 44601134

IUPACcopper;disulfate;hydrate
SMILESO.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/Cu.2H2O4S.H2O/c;2*1-5(2,3)4;/h;2*(H2,1,2,3,4);1H2/q+2;;;/p-4
InChIKeyIUJLRUHFNZIXCJ-UHFFFAOYSA-J
MW273.69 g/mol
LogP-3.50
Rot. Bonds

About copper;disulfate;hydrate

copper;disulfate;hydrate (PubChem CID 44601134) has the molecular formula H2CuO9S2-2 and a molecular weight of 273.69 g/mol. Its IUPAC name is copper;disulfate;hydrate.

Molecular Properties

Compound Namecopper;disulfate;hydrate
PubChem CID44601134
Molecular FormulaH2CuO9S2-2
Molecular Weight273.69 g/mol
Exact Mass272.84
IUPAC Namecopper;disulfate;hydrate
SMILESO.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/Cu.2H2O4S.H2O/c;2*1-5(2,3)4;/h;2*(H2,1,2,3,4);1H2/q+2;;;/p-4
InChIKeyIUJLRUHFNZIXCJ-UHFFFAOYSA-J
XLogP-3.50
TPSA192.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 5-3.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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sulfate trihydrate
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bis(iron(3+));trisulfate;tetrahydrate
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bis(iron(3+));trisulfate;henicosahydrate
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dialuminum;trisulfate;dotriacontahydrate
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bis(ytterbium(3+));trisulfate;octahydrate
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copper;tetrasodium;trisulfate
CID 158226440
tris(ytterbium(3+));disulfate;octahydrate
CID 131676103
sodium;sulfate;heptahydrate
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bis(neodymium(3+));trisulfate;hydrate
CID 53249209

Frequently Asked Questions

What is the IUPAC name of copper;disulfate;hydrate?
The IUPAC name of copper;disulfate;hydrate (CID 44601134) is copper;disulfate;hydrate.
What is the SMILES notation for copper;disulfate;hydrate?
The canonical SMILES for copper;disulfate;hydrate is O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Cu+2].
What is the InChIKey of copper;disulfate;hydrate?
The InChIKey is IUJLRUHFNZIXCJ-UHFFFAOYSA-J. The full InChI is InChI=1S/Cu.2H2O4S.H2O/c;2*1-5(2,3)4;/h;2*(H2,1,2,3,4);1H2/q+2;;;/p-4.
What are the key properties of copper;disulfate;hydrate?
copper;disulfate;hydrate has a molecular weight of 273.69 g/mol, XLogP of -3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;disulfate;hydrate is sourced from PubChem (CID 44601134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).