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Molecule
Cerium Sulfide (Ces)
CAS: 12014-82-3 · CeS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12014-82-3
- Molecular Formula
- CeS
- Molecular Mass
- 172.18 g/mol
Identifiers
CAS Registry Number
12014-82-3
SMILES
[Ce].[S]
InChI Key
INJMJSIZAXAEMH-UHFFFAOYSA-N
InChI
InChI=1S/Ce.S
Names and Synonyms
- Cerium Sulfide (Ces) Synonym
- Cerium sulfide (CeS) Synonym
- Cerium monosulfide Synonym
- Tricerium trisulfide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.18 g/mol | CAS Common Chemistry |
| 172.18300000000002 g/mol | RDKit | |
| 172.183 g/mol | RDKit | |
| 177.216 g/mol | chempirical lib | |
| Canonical SMILES | S=[Ce] | CAS Common Chemistry |
| InChI | InChI=1S/Ce.S | CAS Common Chemistry |
| InChI Key | InChIKey=INJMJSIZAXAEMH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cerium sulfide (CeS) | 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 | 0.6482 | RDKit |
| Molar Refractivity | 7.591 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 171.8775097 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 |
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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 = 172.18 g/mol. Edit any field — others recompute live.
