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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
Iron sulfide (FeS)
Synthetic troilite
FES
Iron(II) sulfide
Ferrous monosulfide
Ferrous sulfide (FeS)
Iron monosulfide (FeS)
Iron monosulfide
Ferrous sulfide
Black Iron Sulfide
C.I. 77540
Iron sulfide (FeS)
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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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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 |
