azanium;ethanol;iron;sulfate

C2H10FeNO5S- — CID 167432398

IUPACazanium;ethanol;iron;sulfate
SMILESCCO.O=S(=O)([O-])[O-].[Fe].[NH4+]
InChIInChI=1S/C2H6O.Fe.H3N.H2O4S/c1-2-3;;;1-5(2,3)4/h3H,2H2,1H3;;1H3;(H2,1,2,3,4)/p-1
InChIKeyYIAWYMRNYXWNER-UHFFFAOYSA-M
MW216.02 g/mol
LogP-0.97
Rot. Bonds

About azanium;ethanol;iron;sulfate

azanium;ethanol;iron;sulfate (PubChem CID 167432398) has the molecular formula C2H10FeNO5S- and a molecular weight of 216.02 g/mol. Its IUPAC name is azanium;ethanol;iron;sulfate.

Molecular Properties

Compound Nameazanium;ethanol;iron;sulfate
PubChem CID167432398
Molecular FormulaC2H10FeNO5S-
Molecular Weight216.02 g/mol
Exact Mass215.96
IUPAC Nameazanium;ethanol;iron;sulfate
SMILESCCO.O=S(=O)([O-])[O-].[Fe].[NH4+]
InChIInChI=1S/C2H6O.Fe.H3N.H2O4S/c1-2-3;;;1-5(2,3)4/h3H,2H2,1H3;;1H3;(H2,1,2,3,4)/p-1
InChIKeyYIAWYMRNYXWNER-UHFFFAOYSA-M
XLogP-0.97
TPSA136.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.02
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

ethanol;iron;sulfuric acid
CID 174907324
diazanium;ethane-1,2-diol;sulfate
CID 21328662
dilithium;ethane-1,2-diol;sulfate
CID 162076441
octaazanium;tetrasulfate
CID 86742620
azanium sulfate
CID 21225610
azanium;lithium;sulfate
CID 139045804
hydroxymethylazanium;sulfate
CID 161009547
ethanol;sulfuric acid;hydrate
CID 86634241
disodium;ethane-1,2-diol;sulfate
CID 158719389
ethanol;silver;sulfuric acid
CID 174392237
zinc;methanol;sulfate
CID 87569846
azanium;hydroxyazanium;sulfate
CID 23041852

Frequently Asked Questions

What is the IUPAC name of azanium;ethanol;iron;sulfate?
The IUPAC name of azanium;ethanol;iron;sulfate (CID 167432398) is azanium;ethanol;iron;sulfate.
What is the SMILES notation for azanium;ethanol;iron;sulfate?
The canonical SMILES for azanium;ethanol;iron;sulfate is CCO.O=S(=O)([O-])[O-].[Fe].[NH4+].
What is the InChIKey of azanium;ethanol;iron;sulfate?
The InChIKey is YIAWYMRNYXWNER-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O.Fe.H3N.H2O4S/c1-2-3;;;1-5(2,3)4/h3H,2H2,1H3;;1H3;(H2,1,2,3,4)/p-1.
What are the key properties of azanium;ethanol;iron;sulfate?
azanium;ethanol;iron;sulfate has a molecular weight of 216.02 g/mol, XLogP of -0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;ethanol;iron;sulfate is sourced from PubChem (CID 167432398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).