copper;sulfate;pentahydrochloride

H5Cl5CuO4S — CID 172808383

IUPACcopper;sulfate;pentahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/5ClH.Cu.H2O4S/c;;;;;;1-5(2,3)4/h5*1H;;(H2,1,2,3,4)/q;;;;;+2;/p-2
InChIKeyRVEKYGUYEKEUEB-UHFFFAOYSA-L
MW341.91 g/mol
LogP0.77
Rot. Bonds

About copper;sulfate;pentahydrochloride

copper;sulfate;pentahydrochloride (PubChem CID 172808383) has the molecular formula H5Cl5CuO4S and a molecular weight of 341.91 g/mol. Its IUPAC name is copper;sulfate;pentahydrochloride.

Molecular Properties

Compound Namecopper;sulfate;pentahydrochloride
PubChem CID172808383
Molecular FormulaH5Cl5CuO4S
Molecular Weight341.91 g/mol
Exact Mass338.76
IUPAC Namecopper;sulfate;pentahydrochloride
SMILESCl.Cl.Cl.Cl.Cl.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/5ClH.Cu.H2O4S/c;;;;;;1-5(2,3)4/h5*1H;;(H2,1,2,3,4)/q;;;;;+2;/p-2
InChIKeyRVEKYGUYEKEUEB-UHFFFAOYSA-L
XLogP0.77
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 50.77
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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Frequently Asked Questions

What is the IUPAC name of copper;sulfate;pentahydrochloride?
The IUPAC name of copper;sulfate;pentahydrochloride (CID 172808383) is copper;sulfate;pentahydrochloride.
What is the SMILES notation for copper;sulfate;pentahydrochloride?
The canonical SMILES for copper;sulfate;pentahydrochloride is Cl.Cl.Cl.Cl.Cl.O=S(=O)([O-])[O-].[Cu+2].
What is the InChIKey of copper;sulfate;pentahydrochloride?
The InChIKey is RVEKYGUYEKEUEB-UHFFFAOYSA-L. The full InChI is InChI=1S/5ClH.Cu.H2O4S/c;;;;;;1-5(2,3)4/h5*1H;;(H2,1,2,3,4)/q;;;;;+2;/p-2.
What are the key properties of copper;sulfate;pentahydrochloride?
copper;sulfate;pentahydrochloride has a molecular weight of 341.91 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;sulfate;pentahydrochloride is sourced from PubChem (CID 172808383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).