copper;sulfuric acid;hydrochloride

H3ClCuO4S — CID 175285383

IUPACcopper;sulfuric acid;hydrochloride
SMILESCl.O=S(=O)(O)O.[Cu]
InChIInChI=1S/ClH.Cu.H2O4S/c;;1-5(2,3)4/h1H;;(H2,1,2,3,4)
InChIKeyXHOSAOMZYZOKKS-UHFFFAOYSA-N
MW198.09 g/mol
LogP-0.23
Rot. Bonds

About copper;sulfuric acid;hydrochloride

copper;sulfuric acid;hydrochloride (PubChem CID 175285383) has the molecular formula H3ClCuO4S and a molecular weight of 198.09 g/mol. Its IUPAC name is copper;sulfuric acid;hydrochloride.

Molecular Properties

Compound Namecopper;sulfuric acid;hydrochloride
PubChem CID175285383
Molecular FormulaH3ClCuO4S
Molecular Weight198.09 g/mol
Exact Mass196.87
IUPAC Namecopper;sulfuric acid;hydrochloride
SMILESCl.O=S(=O)(O)O.[Cu]
InChIInChI=1S/ClH.Cu.H2O4S/c;;1-5(2,3)4/h1H;;(H2,1,2,3,4)
InChIKeyXHOSAOMZYZOKKS-UHFFFAOYSA-N
XLogP-0.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;sulfuric acid;hydrochloride?
The IUPAC name of copper;sulfuric acid;hydrochloride (CID 175285383) is copper;sulfuric acid;hydrochloride.
What is the SMILES notation for copper;sulfuric acid;hydrochloride?
The canonical SMILES for copper;sulfuric acid;hydrochloride is Cl.O=S(=O)(O)O.[Cu].
What is the InChIKey of copper;sulfuric acid;hydrochloride?
The InChIKey is XHOSAOMZYZOKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.Cu.H2O4S/c;;1-5(2,3)4/h1H;;(H2,1,2,3,4).
What are the key properties of copper;sulfuric acid;hydrochloride?
copper;sulfuric acid;hydrochloride has a molecular weight of 198.09 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;sulfuric acid;hydrochloride is sourced from PubChem (CID 175285383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).