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Chromium(Iii) Sulfide
CAS: 12018-22-3 | CrS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12018-22-3
Molecular Formula:
CrS
Molecular Weight:
84.063 g/mol
Names and Synonyms:
Chromium(Iii) Sulfide
Common Name
Dichromium trisulfide
Synonym
Chromium(3+) sulfide
Synonym
Chromium sesquisulfide
Synonym
Chromium sulfide (Cr2S3)
Synonym
Identifiers:
SMILES:
[Cr].[S]
InChI:
InChI=1S/Cr.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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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 84.06 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chromium(III)_sulfide None | Legacy Database |
| cas-canonical-smile | [S].[Cr] None | Legacy Database |
| cas-inchi | InChI=1S/Cr.S None | Legacy Database |
| cas-inchi-key | InChIKey=RPBNQQGUJBCUGO-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Chromium sulfide (Cr2S3) None | Legacy Database |
| wikipedia-name | Chromium(III) sulfide None | Legacy Database |
| LogP | 0.6457 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 84.063 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 83.9125785 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.591 | RDKit |