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Copper Monosulfide
CAS: 1317-40-4 | CuS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1317-40-4
Molecular Formula:
CuS
Molecular Weight:
95.613 g/mol
Names and Synonyms:
Copper Monosulfide
Copper sulfide (CuS)
Copper sulfide (Cu0.5S0.5)
NSC 47694
Monocopper monosulfide
Copper(2+) sulfide
C.I. Pigment Blue 34
Copper monosulfide
Copper(II) sulfide
Cupric sulfide
Oil Blue
Horace Vernet's Blue
Copper Blue
C.I. 77450
Copper sulfide (CuS)
Identifiers:
SMILES:
[Cu].[S]
InChI:
InChI=1S/Cu.S
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 95.613 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 94.9016685 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.6457 | RDKit |
| molecular_mass | 95.61 g/mol | Legacy Database |
| density | 4.76 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Copper_monosulfide None | Legacy Database |
| cas-canonical-smile | S=[Cu] None | Legacy Database |
| cas-density | 4.76 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/Cu.S None | Legacy Database |
| cas-inchi-key | InChIKey=BWFPGXWASODCHM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Copper sulfide (CuS) None | Legacy Database |
| wikipedia-name | Copper monosulfide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 7.591 | RDKit |
