sodium;iron(2+);hypochlorite;sulfate

ClFeNaO5S — CID 174965694

IUPACsodium;iron(2+);hypochlorite;sulfate
SMILESO=S(=O)([O-])[O-].[Fe+2].[Na+].[O-]Cl
InChIInChI=1S/ClO.Fe.Na.H2O4S/c1-2;;;1-5(2,3)4/h;;;(H2,1,2,3,4)/q-1;+2;+1;/p-2
InChIKeyJJDWOFOQSZXRMP-UHFFFAOYSA-L
MW226.35 g/mol
LogP-4.84
Rot. Bonds

About sodium;iron(2+);hypochlorite;sulfate

sodium;iron(2+);hypochlorite;sulfate (PubChem CID 174965694) has the molecular formula ClFeNaO5S and a molecular weight of 226.35 g/mol. Its IUPAC name is sodium;iron(2+);hypochlorite;sulfate.

Molecular Properties

Compound Namesodium;iron(2+);hypochlorite;sulfate
PubChem CID174965694
Molecular FormulaClFeNaO5S
Molecular Weight226.35 g/mol
Exact Mass225.84
IUPAC Namesodium;iron(2+);hypochlorite;sulfate
SMILESO=S(=O)([O-])[O-].[Fe+2].[Na+].[O-]Cl
InChIInChI=1S/ClO.Fe.Na.H2O4S/c1-2;;;1-5(2,3)4/h;;;(H2,1,2,3,4)/q-1;+2;+1;/p-2
InChIKeyJJDWOFOQSZXRMP-UHFFFAOYSA-L
XLogP-4.84
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 5-4.84
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of sodium;iron(2+);hypochlorite;sulfate?
The IUPAC name of sodium;iron(2+);hypochlorite;sulfate (CID 174965694) is sodium;iron(2+);hypochlorite;sulfate.
What is the SMILES notation for sodium;iron(2+);hypochlorite;sulfate?
The canonical SMILES for sodium;iron(2+);hypochlorite;sulfate is O=S(=O)([O-])[O-].[Fe+2].[Na+].[O-]Cl.
What is the InChIKey of sodium;iron(2+);hypochlorite;sulfate?
The InChIKey is JJDWOFOQSZXRMP-UHFFFAOYSA-L. The full InChI is InChI=1S/ClO.Fe.Na.H2O4S/c1-2;;;1-5(2,3)4/h;;;(H2,1,2,3,4)/q-1;+2;+1;/p-2.
What are the key properties of sodium;iron(2+);hypochlorite;sulfate?
sodium;iron(2+);hypochlorite;sulfate has a molecular weight of 226.35 g/mol, XLogP of -4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;iron(2+);hypochlorite;sulfate is sourced from PubChem (CID 174965694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).