Back to Search
Molecule
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 Mass
- 84.06 g/mol
Identifiers
CAS Registry Number
12018-22-3
SMILES
[Cr].[S]
InChI Key
RPBNQQGUJBCUGO-UHFFFAOYSA-N
InChI
InChI=1S/Cr.S
Names and Synonyms
- Chromium(Iii) Sulfide Common Name
- Chromium sulfide (Cr2S3) Synonym
- Chromium sesquisulfide Synonym
- Chromium(3+) sulfide Synonym
- Dichromium trisulfide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 84.06 g/mol | CAS Common Chemistry |
| 84.063 g/mol | RDKit | |
| 88.088 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chromium(III)_sulfide | CAS Common Chemistry |
| Canonical SMILES | [S].[Cr] | CAS Common Chemistry |
| InChI | InChI=1S/Cr.S | CAS Common Chemistry |
| InChI Key | InChIKey=RPBNQQGUJBCUGO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chromium sulfide (Cr2S3) | CAS Common Chemistry |
| Chromium(III) 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 83.9125785 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 84.06 g/mol. Edit any field — others recompute live.
