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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 Mass:
72.15 g/mol
Names and Synonyms:
Calcium Sulfide
Calcium sulfide (CaS)
Calcium sulfide
Calcium monosulfide
Baumol
C.I. Pigment White 9
Pigment White 9
C.I. 77245
Hepar sulphur
Hepar sulphuris
Hepar sulphuris calcareum
Hahnemann's calcium sulfide
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 72.15 g/mol | CAS Common Chemistry |
| 72.14500000000001 g/mol | RDKit | |
| 71.93466198 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_sulfide | CAS Common Chemistry |
| Canonical SMILES | S=[Ca] | CAS Common Chemistry |
| InChI | InChI=1S/Ca.S | CAS Common Chemistry |
| InChI Key | InChIKey=JGIATAMCQXIDNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Calcium 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 |
| Molar Refractivity | 13.344999999999999 | RDKit |
