copper;hydrogen sulfate;iron(2+);trichloride;hydrochloride

H2Cl4CuFeO4S — CID 175145855

IUPACcopper;hydrogen sulfate;iron(2+);trichloride;hydrochloride
SMILESCl.O=S(=O)([O-])O.[Cl-].[Cl-].[Cl-].[Cu+2].[Fe+2]
InChIInChI=1S/4ClH.Cu.Fe.H2O4S/c;;;;;;1-5(2,3)4/h4*1H;;;(H2,1,2,3,4)/q;;;;2*+2;/p-4
InChIKeyBVJPDVRQXARQOD-UHFFFAOYSA-J
MW359.28 g/mol
LogP-9.57
Rot. Bonds

About copper;hydrogen sulfate;iron(2+);trichloride;hydrochloride

copper;hydrogen sulfate;iron(2+);trichloride;hydrochloride (PubChem CID 175145855) has the molecular formula H2Cl4CuFeO4S and a molecular weight of 359.28 g/mol. Its IUPAC name is copper;hydrogen sulfate;iron(2+);trichloride;hydrochloride.

Molecular Properties

Compound Namecopper;hydrogen sulfate;iron(2+);trichloride;hydrochloride
PubChem CID175145855
Molecular FormulaH2Cl4CuFeO4S
Molecular Weight359.28 g/mol
Exact Mass356.71
IUPAC Namecopper;hydrogen sulfate;iron(2+);trichloride;hydrochloride
SMILESCl.O=S(=O)([O-])O.[Cl-].[Cl-].[Cl-].[Cu+2].[Fe+2]
InChIInChI=1S/4ClH.Cu.Fe.H2O4S/c;;;;;;1-5(2,3)4/h4*1H;;;(H2,1,2,3,4)/q;;;;2*+2;/p-4
InChIKeyBVJPDVRQXARQOD-UHFFFAOYSA-J
XLogP-9.57
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 5-9.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 158787681
sodium;azane;hydrogen sulfate;hydrochloride
CID 173374550
hydrogen sulfate;zirconium(4+)
CID 11213772
strontium hydrogen sulfate
CID 160697720
copper;aminoazanide;hydrogen sulfate
CID 71432056
CID 20581843
CID 20581843
sodium;hydrogen peroxide;hydrogen sulfate
CID 159927283
hydrogen sulfate;hydron;silver
CID 173307708
Ammonium iron(cento) sulfate hexahydrate
CID 139036106
tris(iron(2+));dichloride;disulfate
CID 173070822
copper;sulfate;pentahydrochloride
CID 172808383
triazanium;sulfuric acid;chloride;sulfate
CID 157159319

Frequently Asked Questions

What is the IUPAC name of copper;hydrogen sulfate;iron(2+);trichloride;hydrochloride?
The IUPAC name of copper;hydrogen sulfate;iron(2+);trichloride;hydrochloride (CID 175145855) is copper;hydrogen sulfate;iron(2+);trichloride;hydrochloride.
What is the SMILES notation for copper;hydrogen sulfate;iron(2+);trichloride;hydrochloride?
The canonical SMILES for copper;hydrogen sulfate;iron(2+);trichloride;hydrochloride is Cl.O=S(=O)([O-])O.[Cl-].[Cl-].[Cl-].[Cu+2].[Fe+2].
What is the InChIKey of copper;hydrogen sulfate;iron(2+);trichloride;hydrochloride?
The InChIKey is BVJPDVRQXARQOD-UHFFFAOYSA-J. The full InChI is InChI=1S/4ClH.Cu.Fe.H2O4S/c;;;;;;1-5(2,3)4/h4*1H;;;(H2,1,2,3,4)/q;;;;2*+2;/p-4.
What are the key properties of copper;hydrogen sulfate;iron(2+);trichloride;hydrochloride?
copper;hydrogen sulfate;iron(2+);trichloride;hydrochloride has a molecular weight of 359.28 g/mol, XLogP of -9.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;hydrogen sulfate;iron(2+);trichloride;hydrochloride is sourced from PubChem (CID 175145855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).