iron(3+) disulfide

FeS2- — CID 138395200

IUPACiron(3+) disulfide
SMILES[Fe+3].[S-2].[S-2]
InChIInChI=1S/Fe.2S/q+3;2*-2
InChIKeyGJIYBHKHXWUZOP-UHFFFAOYSA-N
MW119.98 g/mol
LogP-0.01
Rot. Bonds

About iron(3+) disulfide

iron(3+) disulfide (PubChem CID 138395200) has the molecular formula FeS2- and a molecular weight of 119.98 g/mol. Its IUPAC name is iron(3+) disulfide.

Molecular Properties

Compound Nameiron(3+) disulfide
PubChem CID138395200
Molecular FormulaFeS2-
Molecular Weight119.98 g/mol
Exact Mass119.88
IUPAC Nameiron(3+) disulfide
SMILES[Fe+3].[S-2].[S-2]
InChIInChI=1S/Fe.2S/q+3;2*-2
InChIKeyGJIYBHKHXWUZOP-UHFFFAOYSA-N
XLogP-0.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.98
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron(3+) disulfide?
The IUPAC name of iron(3+) disulfide (CID 138395200) is iron(3+) disulfide.
What is the SMILES notation for iron(3+) disulfide?
The canonical SMILES for iron(3+) disulfide is [Fe+3].[S-2].[S-2].
What is the InChIKey of iron(3+) disulfide?
The InChIKey is GJIYBHKHXWUZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.2S/q+3;2*-2.
What are the key properties of iron(3+) disulfide?
iron(3+) disulfide has a molecular weight of 119.98 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron(3+) disulfide is sourced from PubChem (CID 138395200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).