copper;iron;sulfane

H4CuFeS2 — CID 3081378

IUPACcopper;iron;sulfane
SMILESS.S.[Cu].[Fe]
InChIInChI=1S/Cu.Fe.2H2S/h;;2*1H2
InChIKeyVFSXHSNXYZVGBN-UHFFFAOYSA-N
MW187.56 g/mol
LogP0.22
Rot. Bonds

About copper;iron;sulfane

copper;iron;sulfane (PubChem CID 3081378) has the molecular formula H4CuFeS2 and a molecular weight of 187.56 g/mol. Its IUPAC name is copper;iron;sulfane.

Molecular Properties

Compound Namecopper;iron;sulfane
PubChem CID3081378
Molecular FormulaH4CuFeS2
Molecular Weight187.56 g/mol
Exact Mass186.84
IUPAC Namecopper;iron;sulfane
SMILESS.S.[Cu].[Fe]
InChIInChI=1S/Cu.Fe.2H2S/h;;2*1H2
InChIKeyVFSXHSNXYZVGBN-UHFFFAOYSA-N
XLogP0.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.56
LogP ≤ 50.22
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 copper;iron;sulfane?
The IUPAC name of copper;iron;sulfane (CID 3081378) is copper;iron;sulfane.
What is the SMILES notation for copper;iron;sulfane?
The canonical SMILES for copper;iron;sulfane is S.S.[Cu].[Fe].
What is the InChIKey of copper;iron;sulfane?
The InChIKey is VFSXHSNXYZVGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/Cu.Fe.2H2S/h;;2*1H2.
What are the key properties of copper;iron;sulfane?
copper;iron;sulfane has a molecular weight of 187.56 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper;iron;sulfane is sourced from PubChem (CID 3081378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).