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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 Weight:
87.912 g/mol
Names and Synonyms:
Iron(Ii) Sulfide
Common Name
Iron sulfide (FeS)
Synonym
Synthetic troilite
Synonym
FES
Synonym
Iron(II) sulfide
Synonym
Ferrous monosulfide
Synonym
Ferrous sulfide (FeS)
Synonym
Iron monosulfide (FeS)
Synonym
Iron monosulfide
Synonym
Ferrous sulfide
Synonym
Black Iron Sulfide
Synonym
C.I. 77540
Synonym
Iron sulfide (FeS)
Synonym
Identifiers:
SMILES:
[Fe].[S]
InChI:
InChI=1S/Fe.S
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 87.912 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 87.90700849999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.6457 | RDKit |
| molecular_mass | 87.91 g/mol | Legacy Database |
| density | 4.84 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Iron(II)_sulfide None | Legacy Database |
| cas-canonical-smile | S=[Fe] None | Legacy Database |
| cas-density | 4.84 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/Fe.S None | Legacy Database |
| cas-inchi-key | InChIKey=MBMLMWLHJBBADN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 1194 °C None | Legacy Database |
| cas-name | Iron sulfide (FeS) None | Legacy Database |
| wikipedia-name | Iron(II) sulfide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.591 | RDKit |