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Molecule
Beryllium Sulfide
CAS: 13598-22-6 · BeS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13598-22-6
- Molecular Formula
- BeS
- Molecular Mass
- 41.08 g/mol
Identifiers
CAS Registry Number
13598-22-6
SMILES
[Be].[S]
InChI Key
FQDSYGKTHDFFCM-UHFFFAOYSA-N
InChI
InChI=1S/Be.S
Names and Synonyms
- Beryllium Sulfide Common Name
- Beryllium sulfide (BeS) Synonym
- Beryllium monosulfide Synonym
- Beryllium sulfide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 41.08 g/mol | CAS Common Chemistry |
| 41.079 g/mol | RDKit | |
| 45.104 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Beryllium_sulfide | CAS Common Chemistry |
| Canonical SMILES | [Be]=S | CAS Common Chemistry |
| InChI | InChI=1S/Be.S | CAS Common Chemistry |
| InChI Key | InChIKey=FQDSYGKTHDFFCM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Beryllium 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 | 40.9842532 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
External Resources
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Quick conversion
MW = 41.08 g/mol. Edit any field — others recompute live.
