azane;iron(2+);sulfuric acid;sulfate

H8FeN2O8S2 — CID 57495516

IUPACazane;iron(2+);sulfuric acid;sulfate
SMILESN.N.O=S(=O)(O)O.O=S(=O)([O-])[O-].[Fe+2]
InChIInChI=1S/Fe.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2
InChIKeyIMBKASBLAKCLEM-UHFFFAOYSA-L
MW284.05 g/mol
LogP-1.67
Rot. Bonds

About azane;iron(2+);sulfuric acid;sulfate

azane;iron(2+);sulfuric acid;sulfate (PubChem CID 57495516) has the molecular formula H8FeN2O8S2 and a molecular weight of 284.05 g/mol. Its IUPAC name is azane;iron(2+);sulfuric acid;sulfate.

Molecular Properties

Compound Nameazane;iron(2+);sulfuric acid;sulfate
PubChem CID57495516
Molecular FormulaH8FeN2O8S2
Molecular Weight284.05 g/mol
Exact Mass283.91
IUPAC Nameazane;iron(2+);sulfuric acid;sulfate
SMILESN.N.O=S(=O)(O)O.O=S(=O)([O-])[O-].[Fe+2]
InChIInChI=1S/Fe.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2
InChIKeyIMBKASBLAKCLEM-UHFFFAOYSA-L
XLogP-1.67
TPSA224.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.05
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 azane;iron(2+);sulfuric acid;sulfate?
The IUPAC name of azane;iron(2+);sulfuric acid;sulfate (CID 57495516) is azane;iron(2+);sulfuric acid;sulfate.
What is the SMILES notation for azane;iron(2+);sulfuric acid;sulfate?
The canonical SMILES for azane;iron(2+);sulfuric acid;sulfate is N.N.O=S(=O)(O)O.O=S(=O)([O-])[O-].[Fe+2].
What is the InChIKey of azane;iron(2+);sulfuric acid;sulfate?
The InChIKey is IMBKASBLAKCLEM-UHFFFAOYSA-L. The full InChI is InChI=1S/Fe.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2.
What are the key properties of azane;iron(2+);sulfuric acid;sulfate?
azane;iron(2+);sulfuric acid;sulfate has a molecular weight of 284.05 g/mol, XLogP of -1.67, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;iron(2+);sulfuric acid;sulfate is sourced from PubChem (CID 57495516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).