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Molecule
Selenium Sulfide
CAS: 56093-45-9 · SSe
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 56093-45-9
- Molecular Formula
- SSe
- Molecular Mass
- 111.03 g/mol
Identifiers
CAS Registry Number
56093-45-9
SMILES
[S].[Se]
InChI Key
ZQRRBZZVXPVWRB-UHFFFAOYSA-N
InChI
InChI=1S/S.Se
Names and Synonyms
- Selenium Sulfide Synonym
- Selenium sulfide Synonym
- Selensulfur Synonym
- Caspiselenium Synonym
- Abbotselsun Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 111.03 g/mol | CAS Common Chemistry |
| 111.8885923 g/mol | RDKit | |
| 111.027 g/mol | RDKit | |
| 115.052 g/mol | chempirical lib | |
| Canonical SMILES | [S].[Se] | CAS Common Chemistry |
| InChI | InChI=1S/S.Se | CAS Common Chemistry |
| InChI Key | InChIKey=ZQRRBZZVXPVWRB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Selenium 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 | 0.26739999999999997 | RDKit |
| 0.2674 | RDKit | |
| Molar Refractivity | 13.344999999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 111.02699999999999 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
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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 = 111.03 g/mol. Edit any field — others recompute live.
