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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 Mass:
87.91 g/mol
Names and Synonyms:
Iron(Ii) Sulfide
Iron sulfide (FeS)
C.I. 77540
Black Iron Sulfide
Ferrous sulfide
Iron monosulfide
Iron monosulfide (FeS)
Ferrous sulfide (FeS)
Ferrous monosulfide
Iron(II) sulfide
FES
Synthetic troilite
Iron sulfide (FeS)
Identifiers:
SMILES:
[Fe].[S]
InChI:
InChI=1S/Fe.S
Key Properties
Melting Point
1194 °C
CAS Common Chemistry
Density
4.84 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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 |
|---|
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 87.91 g/mol | CAS Common Chemistry |
| 87.912 g/mol | RDKit | |
| 87.90700849999999 g/mol | RDKit | |
| Density | 4.84 g/cm³ | CAS Common Chemistry |
| 4.84 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iron(II)_sulfide | CAS Common Chemistry |
| Canonical SMILES | S=[Fe] | CAS Common Chemistry |
| InChI | InChI=1S/Fe.S | 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 |
| Iron(II) sulfide | 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 | RDKit |
