iron;sulfuric acid;hydrate

H4FeO5S — CID 516917

IUPACiron;sulfuric acid;hydrate
SMILESO.O=S(=O)(O)O.[Fe]
InChIInChI=1S/Fe.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2
InChIKeyHRZKFCSHISLTEI-UHFFFAOYSA-N
MW171.94 g/mol
LogP-1.48
Rot. Bonds

About iron;sulfuric acid;hydrate

iron;sulfuric acid;hydrate (PubChem CID 516917) has the molecular formula H4FeO5S and a molecular weight of 171.94 g/mol. Its IUPAC name is iron;sulfuric acid;hydrate.

Molecular Properties

Compound Nameiron;sulfuric acid;hydrate
PubChem CID516917
Molecular FormulaH4FeO5S
Molecular Weight171.94 g/mol
Exact Mass171.91
IUPAC Nameiron;sulfuric acid;hydrate
SMILESO.O=S(=O)(O)O.[Fe]
InChIInChI=1S/Fe.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2
InChIKeyHRZKFCSHISLTEI-UHFFFAOYSA-N
XLogP-1.48
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.94
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 iron;sulfuric acid;hydrate?
The IUPAC name of iron;sulfuric acid;hydrate (CID 516917) is iron;sulfuric acid;hydrate.
What is the SMILES notation for iron;sulfuric acid;hydrate?
The canonical SMILES for iron;sulfuric acid;hydrate is O.O=S(=O)(O)O.[Fe].
What is the InChIKey of iron;sulfuric acid;hydrate?
The InChIKey is HRZKFCSHISLTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2.
What are the key properties of iron;sulfuric acid;hydrate?
iron;sulfuric acid;hydrate has a molecular weight of 171.94 g/mol, XLogP of -1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron;sulfuric acid;hydrate is sourced from PubChem (CID 516917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).