oxoiron;sulfuric acid

H2FeO5S — CID 159224728

IUPACoxoiron;sulfuric acid
SMILESO=S(=O)(O)O.O=[Fe]
InChIInChI=1S/Fe.H2O4S.O/c;1-5(2,3)4;/h;(H2,1,2,3,4);
InChIKeyKSDJTQAGKIGVEI-UHFFFAOYSA-N
MW169.92 g/mol
LogP-0.77
Rot. Bonds

About oxoiron;sulfuric acid

oxoiron;sulfuric acid (PubChem CID 159224728) has the molecular formula H2FeO5S and a molecular weight of 169.92 g/mol. Its IUPAC name is oxoiron;sulfuric acid.

Molecular Properties

Compound Nameoxoiron;sulfuric acid
PubChem CID159224728
Molecular FormulaH2FeO5S
Molecular Weight169.92 g/mol
Exact Mass169.90
IUPAC Nameoxoiron;sulfuric acid
SMILESO=S(=O)(O)O.O=[Fe]
InChIInChI=1S/Fe.H2O4S.O/c;1-5(2,3)4;/h;(H2,1,2,3,4);
InChIKeyKSDJTQAGKIGVEI-UHFFFAOYSA-N
XLogP-0.77
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.92
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxoiron;sulfuric acid?
The IUPAC name of oxoiron;sulfuric acid (CID 159224728) is oxoiron;sulfuric acid.
What is the SMILES notation for oxoiron;sulfuric acid?
The canonical SMILES for oxoiron;sulfuric acid is O=S(=O)(O)O.O=[Fe].
What is the InChIKey of oxoiron;sulfuric acid?
The InChIKey is KSDJTQAGKIGVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.H2O4S.O/c;1-5(2,3)4;/h;(H2,1,2,3,4);.
What are the key properties of oxoiron;sulfuric acid?
oxoiron;sulfuric acid has a molecular weight of 169.92 g/mol, XLogP of -0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxoiron;sulfuric acid is sourced from PubChem (CID 159224728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).