iron;sulfurous acid

H8FeO12S4 — CID 175438968

IUPACiron;sulfurous acid
SMILESO=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.[Fe]
InChIInChI=1S/Fe.4H2O3S/c;4*1-4(2)3/h;4*(H2,1,2,3)
InChIKeyVOXGNNGEZXPYET-UHFFFAOYSA-N
MW384.17 g/mol
LogP-1.28
Rot. Bonds

About iron;sulfurous acid

iron;sulfurous acid (PubChem CID 175438968) has the molecular formula H8FeO12S4 and a molecular weight of 384.17 g/mol. Its IUPAC name is iron;sulfurous acid.

Molecular Properties

Compound Nameiron;sulfurous acid
PubChem CID175438968
Molecular FormulaH8FeO12S4
Molecular Weight384.17 g/mol
Exact Mass383.82
IUPAC Nameiron;sulfurous acid
SMILESO=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.[Fe]
InChIInChI=1S/Fe.4H2O3S/c;4*1-4(2)3/h;4*(H2,1,2,3)
InChIKeyVOXGNNGEZXPYET-UHFFFAOYSA-N
XLogP-1.28
TPSA230.12 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.17
LogP ≤ 5-1.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

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

hydron;sulfurous acid
CID 173020149
CID 162004424
CID 162004424
CID 139595971
CID 139595971
phosphane;sulfurous acid
CID 173229936
arsane;sulfurous acid
CID 173343664
disodium;azane;hydride;iron;sulfurous acid
CID 173314683
hydron;sulfurous acid;hydrochloride
CID 174946948
dimagnesium;oxygen(2-);sulfurous acid
CID 173417468
CID 131842919
CID 131842919
cobalt;sulfurous acid;hydrochloride
CID 173440946
molecular nitrogen;sulfurous acid
CID 175506795
aluminum;hydron;sulfurous acid
CID 173145345

Frequently Asked Questions

What is the IUPAC name of iron;sulfurous acid?
The IUPAC name of iron;sulfurous acid (CID 175438968) is iron;sulfurous acid.
What is the SMILES notation for iron;sulfurous acid?
The canonical SMILES for iron;sulfurous acid is O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.[Fe].
What is the InChIKey of iron;sulfurous acid?
The InChIKey is VOXGNNGEZXPYET-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.4H2O3S/c;4*1-4(2)3/h;4*(H2,1,2,3).
What are the key properties of iron;sulfurous acid?
iron;sulfurous acid has a molecular weight of 384.17 g/mol, XLogP of -1.28, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron;sulfurous acid is sourced from PubChem (CID 175438968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).