azanium;iron(3+);oxygen(2-);sulfate

H4FeNO5S — CID 160689696

IUPACazanium;iron(3+);oxygen(2-);sulfate
SMILESO=S(=O)([O-])[O-].[Fe+3].[NH4+].[O-2]
InChIInChI=1S/Fe.H3N.H2O4S.O/c;;1-5(2,3)4;/h;1H3;(H2,1,2,3,4);/q+3;;;-2/p-1
InChIKeyRPFZKNKROFSVLZ-UHFFFAOYSA-M
MW185.95 g/mol
LogP-1.08
Rot. Bonds

About azanium;iron(3+);oxygen(2-);sulfate

azanium;iron(3+);oxygen(2-);sulfate (PubChem CID 160689696) has the molecular formula H4FeNO5S and a molecular weight of 185.95 g/mol. Its IUPAC name is azanium;iron(3+);oxygen(2-);sulfate.

Molecular Properties

Compound Nameazanium;iron(3+);oxygen(2-);sulfate
PubChem CID160689696
Molecular FormulaH4FeNO5S
Molecular Weight185.95 g/mol
Exact Mass185.92
IUPAC Nameazanium;iron(3+);oxygen(2-);sulfate
SMILESO=S(=O)([O-])[O-].[Fe+3].[NH4+].[O-2]
InChIInChI=1S/Fe.H3N.H2O4S.O/c;;1-5(2,3)4;/h;1H3;(H2,1,2,3,4);/q+3;;;-2/p-1
InChIKeyRPFZKNKROFSVLZ-UHFFFAOYSA-M
XLogP-1.08
TPSA145.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.95
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azanium;iron(3+);oxygen(2-);sulfate?
The IUPAC name of azanium;iron(3+);oxygen(2-);sulfate (CID 160689696) is azanium;iron(3+);oxygen(2-);sulfate.
What is the SMILES notation for azanium;iron(3+);oxygen(2-);sulfate?
The canonical SMILES for azanium;iron(3+);oxygen(2-);sulfate is O=S(=O)([O-])[O-].[Fe+3].[NH4+].[O-2].
What is the InChIKey of azanium;iron(3+);oxygen(2-);sulfate?
The InChIKey is RPFZKNKROFSVLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/Fe.H3N.H2O4S.O/c;;1-5(2,3)4;/h;1H3;(H2,1,2,3,4);/q+3;;;-2/p-1.
What are the key properties of azanium;iron(3+);oxygen(2-);sulfate?
azanium;iron(3+);oxygen(2-);sulfate has a molecular weight of 185.95 g/mol, XLogP of -1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;iron(3+);oxygen(2-);sulfate is sourced from PubChem (CID 160689696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).