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Molecule
Iron(Ii) Sulfide
CAS: 1317-37-9 · FeS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1317-37-9
- Molecular Formula
- FeS
- Molecular Mass
- 87.91 g/mol
Identifiers
CAS Registry Number
1317-37-9
SMILES
[Fe].[S]
InChI Key
MBMLMWLHJBBADN-UHFFFAOYSA-N
InChI
InChI=1S/Fe.S
Names and Synonyms
- Iron(Ii) Sulfide Common Name
- Iron sulfide (FeS) Synonym
- C.I. 77540 Synonym
- Black Iron Sulfide Synonym
- Ferrous sulfide Synonym
- Iron monosulfide Synonym
- Iron monosulfide (FeS) Synonym
- Ferrous sulfide (FeS) Synonym
- Ferrous monosulfide Synonym
- Iron(II) sulfide Synonym
- FES Synonym
- Synthetic troilite Synonym
- Iron sulfide (FeS) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | S=[Fe] | CAS Common Chemistry |
| Density | 4.84 g/cm3 | CAS Common Chemistry |
| 4.84 g/cm³ | CAS Common Chemistry | |
| InChI | InChI=1S/Fe.S | CAS Common Chemistry |
| Molecular Mass | 87.91 g/mol | CAS Common Chemistry |
| 87.912 g/mol | RDKit | |
| 91.937 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iron(II)_sulfide | CAS Common Chemistry |
| InChI Key | InChIKey=MBMLMWLHJBBADN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1194 °C | CAS Common Chemistry |
| Name | Iron sulfide (FeS) | CAS Common Chemistry |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.6457 | RDKit |
| Molar Refractivity | 7.591 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 87.90700849999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 87.91 g/mol. Edit any field — others recompute live.
