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Calcium Sulfide
CAS: 20548-54-3 | CaS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20548-54-3
Molecular Formula:
CaS
Molecular Weight:
72.14500000000001 g/mol
Names and Synonyms:
Calcium Sulfide
Synonym
Calcium sulfide (CaS)
Synonym
Calcium sulfide
Synonym
Calcium monosulfide
Synonym
Baumol
Synonym
C.I. Pigment White 9
Synonym
Pigment White 9
Synonym
C.I. 77245
Synonym
Hepar sulphur
Synonym
Hepar sulphuris
Synonym
Hepar sulphuris calcareum
Synonym
Hahnemann's calcium sulfide
Synonym
Identifiers:
SMILES:
[Ca].[S]
InChI:
InChI=1S/Ca.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 | 72.14500000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 71.93466198 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 | 0.26739999999999997 | RDKit |
| molecular_mass | 72.15 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Calcium_sulfide None | Legacy Database |
| cas-canonical-smile | S=[Ca] None | Legacy Database |
| cas-inchi | InChI=1S/Ca.S None | Legacy Database |
| cas-inchi-key | InChIKey=JGIATAMCQXIDNZ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Calcium sulfide None | Legacy Database |
| wikipedia-name | Calcium sulfide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 13.344999999999999 | RDKit |