ethanol;iron;sulfuric acid

C2H8FeO5S — CID 174907324

IUPACethanol;iron;sulfuric acid
SMILESCCO.O=S(=O)(O)O.[Fe]
InChIInChI=1S/C2H6O.Fe.H2O4S/c1-2-3;;1-5(2,3)4/h3H,2H2,1H3;;(H2,1,2,3,4)
InChIKeyVXPUTRYOWIKBJN-UHFFFAOYSA-N
MW199.99 g/mol
LogP-0.66
Rot. Bonds

About ethanol;iron;sulfuric acid

ethanol;iron;sulfuric acid (PubChem CID 174907324) has the molecular formula C2H8FeO5S and a molecular weight of 199.99 g/mol. Its IUPAC name is ethanol;iron;sulfuric acid.

Molecular Properties

Compound Nameethanol;iron;sulfuric acid
PubChem CID174907324
Molecular FormulaC2H8FeO5S
Molecular Weight199.99 g/mol
Exact Mass199.94
IUPAC Nameethanol;iron;sulfuric acid
SMILESCCO.O=S(=O)(O)O.[Fe]
InChIInChI=1S/C2H6O.Fe.H2O4S/c1-2-3;;1-5(2,3)4/h3H,2H2,1H3;;(H2,1,2,3,4)
InChIKeyVXPUTRYOWIKBJN-UHFFFAOYSA-N
XLogP-0.66
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.99
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanol;iron;sulfuric acid?
The IUPAC name of ethanol;iron;sulfuric acid (CID 174907324) is ethanol;iron;sulfuric acid.
What is the SMILES notation for ethanol;iron;sulfuric acid?
The canonical SMILES for ethanol;iron;sulfuric acid is CCO.O=S(=O)(O)O.[Fe].
What is the InChIKey of ethanol;iron;sulfuric acid?
The InChIKey is VXPUTRYOWIKBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.Fe.H2O4S/c1-2-3;;1-5(2,3)4/h3H,2H2,1H3;;(H2,1,2,3,4).
What are the key properties of ethanol;iron;sulfuric acid?
ethanol;iron;sulfuric acid has a molecular weight of 199.99 g/mol, XLogP of -0.66, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;iron;sulfuric acid is sourced from PubChem (CID 174907324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).