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Molecule
Gold(I) Sulfide
CAS: 1303-60-2 · Au2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1303-60-2
- Molecular Formula
- Au2S
- Molecular Mass
- 426.00 g/mol
Identifiers
CAS Registry Number
1303-60-2
SMILES
[Au].[Au].[S]
InChI Key
NMKZCXMNWUEAHB-UHFFFAOYSA-N
InChI
InChI=1S/2Au.S
Names and Synonyms
- Gold(I) Sulfide Common Name
- Gold sulfide (Au2S) Synonym
- Aurous sulfide Synonym
- Aurosulfo Synonym
- Digold sulfide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 426.00 g/mol | CAS Common Chemistry |
| 426.00100000000003 g/mol | RDKit | |
| 426.001 g/mol | RDKit | |
| 430.026 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Gold(I)_sulfide | CAS Common Chemistry |
| Canonical SMILES | [Au]S[Au] | CAS Common Chemistry |
| InChI | InChI=1S/2Au.S | CAS Common Chemistry |
| InChI Key | InChIKey=NMKZCXMNWUEAHB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Gold sulfide (Au2S) | 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 | 425.9052084 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 |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 426.00 g/mol. Edit any field — others recompute live.
