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Copper(I) Sulfide
CAS: 22205-45-4 | Cu2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22205-45-4
Molecular Formula:
Cu2S
Molecular Mass:
159.16 g/mol
Names and Synonyms:
Copper(I) Sulfide
Copper sulfide (Cu2S)
Cuprous sulfide
Dicopper sulfide
Copper(I) sulfide
Dicopper monosulfide
Cuprous sulfide (Cu2S)
Austro Tecc CB 500
Copper sulfide (Cu0.67S0.33)
Identifiers:
SMILES:
[Cu].[Cu].[S]
InChI:
InChI=1S/2Cu.S
Key Properties
Melting Point
1100 °C
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 | 159.16 g/mol | CAS Common Chemistry |
| 159.159 g/mol | RDKit | |
| 157.831266 g/mol | RDKit | |
| 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 |
| Copper(I) sulfide | 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 | RDKit |
