iron;sulfuric acid;octahydrate

H18FeO12S — CID 175169666

IUPACiron;sulfuric acid;octahydrate
SMILESO.O.O.O.O.O.O.O.O=S(=O)(O)O.[Fe]
InChIInChI=1S/Fe.H2O4S.8H2O/c;1-5(2,3)4;;;;;;;;/h;(H2,1,2,3,4);8*1H2
InChIKeyCMADUTLOEJRGSB-UHFFFAOYSA-N
MW298.04 g/mol
LogP-7.25
Rot. Bonds

About iron;sulfuric acid;octahydrate

iron;sulfuric acid;octahydrate (PubChem CID 175169666) has the molecular formula H18FeO12S and a molecular weight of 298.04 g/mol. Its IUPAC name is iron;sulfuric acid;octahydrate.

Molecular Properties

Compound Nameiron;sulfuric acid;octahydrate
PubChem CID175169666
Molecular FormulaH18FeO12S
Molecular Weight298.04 g/mol
Exact Mass297.99
IUPAC Nameiron;sulfuric acid;octahydrate
SMILESO.O.O.O.O.O.O.O.O=S(=O)(O)O.[Fe]
InChIInChI=1S/Fe.H2O4S.8H2O/c;1-5(2,3)4;;;;;;;;/h;(H2,1,2,3,4);8*1H2
InChIKeyCMADUTLOEJRGSB-UHFFFAOYSA-N
XLogP-7.25
TPSA326.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.04
LogP ≤ 5-7.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of iron;sulfuric acid;octahydrate?
The IUPAC name of iron;sulfuric acid;octahydrate (CID 175169666) is iron;sulfuric acid;octahydrate.
What is the SMILES notation for iron;sulfuric acid;octahydrate?
The canonical SMILES for iron;sulfuric acid;octahydrate is O.O.O.O.O.O.O.O.O=S(=O)(O)O.[Fe].
What is the InChIKey of iron;sulfuric acid;octahydrate?
The InChIKey is CMADUTLOEJRGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.H2O4S.8H2O/c;1-5(2,3)4;;;;;;;;/h;(H2,1,2,3,4);8*1H2.
What are the key properties of iron;sulfuric acid;octahydrate?
iron;sulfuric acid;octahydrate has a molecular weight of 298.04 g/mol, XLogP of -7.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron;sulfuric acid;octahydrate is sourced from PubChem (CID 175169666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).