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Molecule
Copper(I) Sulfide
CAS: 22205-45-4 · Cu2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22205-45-4
- Molecular Formula
- Cu2S
- Molecular Mass
- 159.16 g/mol
Identifiers
CAS Registry Number
22205-45-4
SMILES
[Cu].[Cu].[S]
InChI Key
JESPAFKOCOFQIN-UHFFFAOYSA-N
InChI
InChI=1S/2Cu.S
Names and Synonyms
- Copper(I) Sulfide Common Name
- Copper sulfide (Cu2S) Synonym
- Cuprous sulfide Synonym
- Dicopper sulfide Synonym
- Copper(I) sulfide Synonym
- Dicopper monosulfide Synonym
- Cuprous sulfide (Cu2S) Synonym
- Austro Tecc CB 500 Synonym
- Copper sulfide (Cu0.67S0.33) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 159.16 g/mol | CAS Common Chemistry |
| 159.159 g/mol | RDKit | |
| 163.184 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Copper(I)_sulfide | CAS Common Chemistry |
| Melting Point | 1100 °C | CAS Common Chemistry |
| Canonical SMILES | [Cu]S[Cu] | CAS Common Chemistry |
| InChI | InChI=1S/2Cu.S | CAS Common Chemistry |
| InChI Key | InChIKey=JESPAFKOCOFQIN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Copper sulfide (Cu2S) | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | 0.6432 | RDKit |
| Molar Refractivity | 7.591 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 157.831266 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 159.16 g/mol. Edit any field — others recompute live.
