iron(2+);manganese(2+);chloride;sulfate

ClFeMnO4S+ — CID 21281627

IUPACiron(2+);manganese(2+);chloride;sulfate
SMILESO=S(=O)([O-])[O-].[Cl-].[Fe+2].[Mn+2]
InChIInChI=1S/ClH.Fe.Mn.H2O4S/c;;;1-5(2,3)4/h1H;;;(H2,1,2,3,4)/q;2*+2;/p-3
InChIKeyYEPAXFAFZZWTDY-UHFFFAOYSA-K
MW242.30 g/mol
LogP-4.34
Rot. Bonds

About iron(2+);manganese(2+);chloride;sulfate

iron(2+);manganese(2+);chloride;sulfate (PubChem CID 21281627) has the molecular formula ClFeMnO4S+ and a molecular weight of 242.30 g/mol. Its IUPAC name is iron(2+);manganese(2+);chloride;sulfate.

Molecular Properties

Compound Nameiron(2+);manganese(2+);chloride;sulfate
PubChem CID21281627
Molecular FormulaClFeMnO4S+
Molecular Weight242.30 g/mol
Exact Mass241.79
IUPAC Nameiron(2+);manganese(2+);chloride;sulfate
SMILESO=S(=O)([O-])[O-].[Cl-].[Fe+2].[Mn+2]
InChIInChI=1S/ClH.Fe.Mn.H2O4S/c;;;1-5(2,3)4/h1H;;;(H2,1,2,3,4)/q;2*+2;/p-3
InChIKeyYEPAXFAFZZWTDY-UHFFFAOYSA-K
XLogP-4.34
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-4.34
H-Bond Donors ≤ 50
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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CID 162189705
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bis(manganese(2+)) disulfate
CID 19851277
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Frequently Asked Questions

What is the IUPAC name of iron(2+);manganese(2+);chloride;sulfate?
The IUPAC name of iron(2+);manganese(2+);chloride;sulfate (CID 21281627) is iron(2+);manganese(2+);chloride;sulfate.
What is the SMILES notation for iron(2+);manganese(2+);chloride;sulfate?
The canonical SMILES for iron(2+);manganese(2+);chloride;sulfate is O=S(=O)([O-])[O-].[Cl-].[Fe+2].[Mn+2].
What is the InChIKey of iron(2+);manganese(2+);chloride;sulfate?
The InChIKey is YEPAXFAFZZWTDY-UHFFFAOYSA-K. The full InChI is InChI=1S/ClH.Fe.Mn.H2O4S/c;;;1-5(2,3)4/h1H;;;(H2,1,2,3,4)/q;2*+2;/p-3.
What are the key properties of iron(2+);manganese(2+);chloride;sulfate?
iron(2+);manganese(2+);chloride;sulfate has a molecular weight of 242.30 g/mol, XLogP of -4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);manganese(2+);chloride;sulfate is sourced from PubChem (CID 21281627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).