iron(2+);manganese(2+);disulfate

FeMnO8S2 — CID 162189705

IUPACiron(2+);manganese(2+);disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+2].[Mn+2]
InChIInChI=1S/Fe.Mn.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q2*+2;;/p-4
InChIKeyZQDDVHBNNTVJHV-UHFFFAOYSA-J
MW302.91 g/mol
LogP-2.68
Rot. Bonds

About iron(2+);manganese(2+);disulfate

iron(2+);manganese(2+);disulfate (PubChem CID 162189705) has the molecular formula FeMnO8S2 and a molecular weight of 302.91 g/mol. Its IUPAC name is iron(2+);manganese(2+);disulfate.

Molecular Properties

Compound Nameiron(2+);manganese(2+);disulfate
PubChem CID162189705
Molecular FormulaFeMnO8S2
Molecular Weight302.91 g/mol
Exact Mass302.78
IUPAC Nameiron(2+);manganese(2+);disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+2].[Mn+2]
InChIInChI=1S/Fe.Mn.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q2*+2;;/p-4
InChIKeyZQDDVHBNNTVJHV-UHFFFAOYSA-J
XLogP-2.68
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.91
LogP ≤ 5-2.68
H-Bond Donors ≤ 50
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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tris(iron(2+));dichloride;disulfate
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iridium(3+);manganese(2+);sulfate
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bis(manganese(2+));disulfate;tetrahydrate
CID 175600410
hexadecasilver;octasulfate
CID 174664647
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Frequently Asked Questions

What is the IUPAC name of iron(2+);manganese(2+);disulfate?
The IUPAC name of iron(2+);manganese(2+);disulfate (CID 162189705) is iron(2+);manganese(2+);disulfate.
What is the SMILES notation for iron(2+);manganese(2+);disulfate?
The canonical SMILES for iron(2+);manganese(2+);disulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+2].[Mn+2].
What is the InChIKey of iron(2+);manganese(2+);disulfate?
The InChIKey is ZQDDVHBNNTVJHV-UHFFFAOYSA-J. The full InChI is InChI=1S/Fe.Mn.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q2*+2;;/p-4.
What are the key properties of iron(2+);manganese(2+);disulfate?
iron(2+);manganese(2+);disulfate has a molecular weight of 302.91 g/mol, XLogP of -2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);manganese(2+);disulfate is sourced from PubChem (CID 162189705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).