Home/Chemicals/12063-39-7

Chemical substance record

Greigite

12063-39-7₃Fe.₄S295.803 g/mol

MineralChEBI source record

An iron sulfide mineral with formula Fe3S4. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	12063-39-7	ChEBI ↗
Molecular formula	₃Fe.₄S	ChEBI ↗
Molar mass	295.803 g/mol	ChEBI ↗
Monoisotopic mass	295.6931 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:86238	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	295.8 g/mol	PubChem ↗
Exact mass	295.693091 Da	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

greigite

IUPAC name

iron(2+);bis(iron(3+));tetrasulfide

InChIKey

UHUWQCGPGPPDDT-UHFFFAOYSA-N

SMILES

[Fe+2].[Fe+3].[Fe+3].[S-2].[S-2].[S-2].[S-2]

InChI

InChI=1S/3Fe.4S/q+2;2*+3;4*-2

Classification & relationships

ChEBI ontology

sulfide mineralChEBI parent class · 46717 ↗iron(2+) sulfidesChEBI parent class · 75897 ↗iron(3+) sulfidesChEBI parent class · 75898 ↗

mineral

Roles recorded in ChEBI

catalyst

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00338063 mol

Uses 295.803 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Research & patent references

Selected source associations

Energies and spin states of FeS(0/-), FeS2(0/-), Fe2S2(0/-), Fe3S4(0/-), and Fe4S4(0/-) clusters. ↗Chemphyschem : a European journal of chemical physics and physical chemistry · 2013 Apr 15 · PMID 23471871

A comparative DFT study of the mechanical and electronic properties of greigite Fe3S4 and magnetite Fe3O4. ↗The Journal of chemical physics · 2013 May 28 · PMID 23742505

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:86238

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 72720442 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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