iron(2+);sulfide;hydrate

H2FeOS — CID 172996048

IUPACiron(2+);sulfide;hydrate
SMILESO.[Fe+2].[S-2]
InChIInChI=1S/Fe.H2O.S/h;1H2;/q+2;;-2
InChIKeyVMCAOOCREGLLJO-UHFFFAOYSA-N
MW105.93 g/mol
LogP-0.83
Rot. Bonds

About iron(2+);sulfide;hydrate

iron(2+);sulfide;hydrate (PubChem CID 172996048) has the molecular formula H2FeOS and a molecular weight of 105.93 g/mol. Its IUPAC name is iron(2+);sulfide;hydrate.

Molecular Properties

Compound Nameiron(2+);sulfide;hydrate
PubChem CID172996048
Molecular FormulaH2FeOS
Molecular Weight105.93 g/mol
Exact Mass105.92
IUPAC Nameiron(2+);sulfide;hydrate
SMILESO.[Fe+2].[S-2]
InChIInChI=1S/Fe.H2O.S/h;1H2;/q+2;;-2
InChIKeyVMCAOOCREGLLJO-UHFFFAOYSA-N
XLogP-0.83
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.93
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of iron(2+);sulfide;hydrate?
The IUPAC name of iron(2+);sulfide;hydrate (CID 172996048) is iron(2+);sulfide;hydrate.
What is the SMILES notation for iron(2+);sulfide;hydrate?
The canonical SMILES for iron(2+);sulfide;hydrate is O.[Fe+2].[S-2].
What is the InChIKey of iron(2+);sulfide;hydrate?
The InChIKey is VMCAOOCREGLLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.H2O.S/h;1H2;/q+2;;-2.
What are the key properties of iron(2+);sulfide;hydrate?
iron(2+);sulfide;hydrate has a molecular weight of 105.93 g/mol, XLogP of -0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);sulfide;hydrate is sourced from PubChem (CID 172996048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).