diazanium;iron(3+);sulfate

H8FeN2O4S+3 — CID 154825065

IUPACdiazanium;iron(3+);sulfate
SMILESO=S(=O)([O-])[O-].[Fe+3].[NH4+].[NH4+]
InChIInChI=1S/Fe.2H3N.H2O4S/c;;;1-5(2,3)4/h;2*1H3;(H2,1,2,3,4)/q+3;;;
InChIKeyQTYOMGISOFGZKE-UHFFFAOYSA-N
MW187.99 g/mol
LogP-0.59
Rot. Bonds

About diazanium;iron(3+);sulfate

diazanium;iron(3+);sulfate (PubChem CID 154825065) has the molecular formula H8FeN2O4S+3 and a molecular weight of 187.99 g/mol. Its IUPAC name is diazanium;iron(3+);sulfate.

Molecular Properties

Compound Namediazanium;iron(3+);sulfate
PubChem CID154825065
Molecular FormulaH8FeN2O4S+3
Molecular Weight187.99 g/mol
Exact Mass187.95
IUPAC Namediazanium;iron(3+);sulfate
SMILESO=S(=O)([O-])[O-].[Fe+3].[NH4+].[NH4+]
InChIInChI=1S/Fe.2H3N.H2O4S/c;;;1-5(2,3)4/h;2*1H3;(H2,1,2,3,4)/q+3;;;
InChIKeyQTYOMGISOFGZKE-UHFFFAOYSA-N
XLogP-0.59
TPSA153.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.99
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
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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diazanium;nickel;trisulfate
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azanium;cesium;sulfate
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tetraazanium;bis(copper(1+));trisulfate
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azanium;scandium(3+);sulfate
CID 19900049
bis(iron(3+));trisulfate;tetrahydrate
CID 138961463
bis(iron(3+));trisulfate;henicosahydrate
CID 173056972
azanium;lanthanum(3+);disulfate
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hexadecasilver;octasulfate
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Frequently Asked Questions

What is the IUPAC name of diazanium;iron(3+);sulfate?
The IUPAC name of diazanium;iron(3+);sulfate (CID 154825065) is diazanium;iron(3+);sulfate.
What is the SMILES notation for diazanium;iron(3+);sulfate?
The canonical SMILES for diazanium;iron(3+);sulfate is O=S(=O)([O-])[O-].[Fe+3].[NH4+].[NH4+].
What is the InChIKey of diazanium;iron(3+);sulfate?
The InChIKey is QTYOMGISOFGZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.2H3N.H2O4S/c;;;1-5(2,3)4/h;2*1H3;(H2,1,2,3,4)/q+3;;;.
What are the key properties of diazanium;iron(3+);sulfate?
diazanium;iron(3+);sulfate has a molecular weight of 187.99 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;iron(3+);sulfate is sourced from PubChem (CID 154825065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).