hydron;iron(2+);sulfite

HFeO3S+ — CID 20545645

IUPAChydron;iron(2+);sulfite
SMILESO=S([O-])[O-].[Fe+2].[H+]
InChIInChI=1S/Fe.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-1
InChIKeyFPNCFEPWJLGURZ-UHFFFAOYSA-M
MW136.92 g/mol
LogP-0.89
Rot. Bonds

About hydron;iron(2+);sulfite

hydron;iron(2+);sulfite (PubChem CID 20545645) has the molecular formula HFeO3S+ and a molecular weight of 136.92 g/mol. Its IUPAC name is hydron;iron(2+);sulfite.

Molecular Properties

Compound Namehydron;iron(2+);sulfite
PubChem CID20545645
Molecular FormulaHFeO3S+
Molecular Weight136.92 g/mol
Exact Mass136.90
IUPAC Namehydron;iron(2+);sulfite
SMILESO=S([O-])[O-].[Fe+2].[H+]
InChIInChI=1S/Fe.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-1
InChIKeyFPNCFEPWJLGURZ-UHFFFAOYSA-M
XLogP-0.89
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.92
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

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disodium;sulfite;hexahydrate
CID 158498638
sodium;sulfite;hydrate
CID 19366461
calcium;magnesium;disulfite
CID 22465809
calcium;sulfite;dihydrate
CID 23448497
disodium;methane;sulfite
CID 86619477

Frequently Asked Questions

What is the IUPAC name of hydron;iron(2+);sulfite?
The IUPAC name of hydron;iron(2+);sulfite (CID 20545645) is hydron;iron(2+);sulfite.
What is the SMILES notation for hydron;iron(2+);sulfite?
The canonical SMILES for hydron;iron(2+);sulfite is O=S([O-])[O-].[Fe+2].[H+].
What is the InChIKey of hydron;iron(2+);sulfite?
The InChIKey is FPNCFEPWJLGURZ-UHFFFAOYSA-M. The full InChI is InChI=1S/Fe.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-1.
What are the key properties of hydron;iron(2+);sulfite?
hydron;iron(2+);sulfite has a molecular weight of 136.92 g/mol, XLogP of -0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;iron(2+);sulfite is sourced from PubChem (CID 20545645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).