iron;nickel(2+);sulfate

FeNiO4S — CID 25253234

IUPACiron;nickel(2+);sulfate
SMILESO=S(=O)([O-])[O-].[Fe].[Ni+2]
InChIInChI=1S/Fe.Ni.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyIKSUKGGSBQJGCT-UHFFFAOYSA-L
MW210.60 g/mol
LogP-1.34
Rot. Bonds

About iron;nickel(2+);sulfate

iron;nickel(2+);sulfate (PubChem CID 25253234) has the molecular formula FeNiO4S and a molecular weight of 210.60 g/mol. Its IUPAC name is iron;nickel(2+);sulfate.

Molecular Properties

Compound Nameiron;nickel(2+);sulfate
PubChem CID25253234
Molecular FormulaFeNiO4S
Molecular Weight210.60 g/mol
Exact Mass209.82
IUPAC Nameiron;nickel(2+);sulfate
SMILESO=S(=O)([O-])[O-].[Fe].[Ni+2]
InChIInChI=1S/Fe.Ni.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyIKSUKGGSBQJGCT-UHFFFAOYSA-L
XLogP-1.34
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.60
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of iron;nickel(2+);sulfate?
The IUPAC name of iron;nickel(2+);sulfate (CID 25253234) is iron;nickel(2+);sulfate.
What is the SMILES notation for iron;nickel(2+);sulfate?
The canonical SMILES for iron;nickel(2+);sulfate is O=S(=O)([O-])[O-].[Fe].[Ni+2].
What is the InChIKey of iron;nickel(2+);sulfate?
The InChIKey is IKSUKGGSBQJGCT-UHFFFAOYSA-L. The full InChI is InChI=1S/Fe.Ni.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of iron;nickel(2+);sulfate?
iron;nickel(2+);sulfate has a molecular weight of 210.60 g/mol, XLogP of -1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron;nickel(2+);sulfate is sourced from PubChem (CID 25253234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).