iron;nickel;sulfanide

H4Fe4NiS4-4 — CID 5289580

IUPACiron;nickel;sulfanide
SMILES[Fe].[Fe].[Fe].[Fe].[Ni].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/4Fe.Ni.4H2S/h;;;;;4*1H2/p-4
InChIKeyMMIQKDBQTMTBKA-UHFFFAOYSA-J
MW414.37 g/mol
LogP-1.09
Rot. Bonds

About iron;nickel;sulfanide

iron;nickel;sulfanide (PubChem CID 5289580) has the molecular formula H4Fe4NiS4-4 and a molecular weight of 414.37 g/mol. Its IUPAC name is iron;nickel;sulfanide.

Molecular Properties

Compound Nameiron;nickel;sulfanide
PubChem CID5289580
Molecular FormulaH4Fe4NiS4-4
Molecular Weight414.37 g/mol
Exact Mass413.60
IUPAC Nameiron;nickel;sulfanide
SMILES[Fe].[Fe].[Fe].[Fe].[Ni].[SH-].[SH-].[SH-].[SH-]
InChIInChI=1S/4Fe.Ni.4H2S/h;;;;;4*1H2/p-4
InChIKeyMMIQKDBQTMTBKA-UHFFFAOYSA-J
XLogP-1.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.37
LogP ≤ 5-1.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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iron;nickel;silver
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iron;iron(3+);sulfanide
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nonamagnesium;hydride;iron;nickel
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CID 173397502
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CID 172744424
CID 172744424
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CID 154133212
cobalt;iron;nickel;platinum
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CID 155926568
nickel
CID 171736121
CID 175440510
CID 175440510

Frequently Asked Questions

What is the IUPAC name of iron;nickel;sulfanide?
The IUPAC name of iron;nickel;sulfanide (CID 5289580) is iron;nickel;sulfanide.
What is the SMILES notation for iron;nickel;sulfanide?
The canonical SMILES for iron;nickel;sulfanide is [Fe].[Fe].[Fe].[Fe].[Ni].[SH-].[SH-].[SH-].[SH-].
What is the InChIKey of iron;nickel;sulfanide?
The InChIKey is MMIQKDBQTMTBKA-UHFFFAOYSA-J. The full InChI is InChI=1S/4Fe.Ni.4H2S/h;;;;;4*1H2/p-4.
What are the key properties of iron;nickel;sulfanide?
iron;nickel;sulfanide has a molecular weight of 414.37 g/mol, XLogP of -1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron;nickel;sulfanide is sourced from PubChem (CID 5289580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).