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Sodium Sulfide Hydrate
CAS: 27610-45-3 | H2Na2OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27610-45-3
Molecular Formula:
H2Na2OS
Molecular Mass:
96.06 g/mol
Names and Synonyms:
Sodium Sulfide Hydrate
Sodium sulfide (Na2S), hydrate
Sodium sulfide hydrate
Identifiers:
SMILES:
O.[Na].[Na].[S]
InChI:
InChI=1S/2Na.H2O.S/h;;1H2;
Key Properties
Melting Point
183-185 °C
CAS Common Chemistry
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 | 96.06 g/mol | CAS Common Chemistry |
| 96.06199999999998 g/mol | RDKit | |
| 95.962174244 g/mol | RDKit | |
| Canonical SMILES | [Na]S[Na].O | CAS Common Chemistry |
| InChI | InChI=1S/2Na.H2O.S/h;;1H2; | CAS Common Chemistry |
| InChI Key | InChIKey=GDQBTRYKLOBMLL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 183-185 °C | CAS Common Chemistry |
| Name | Sodium sulfide hydrate | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 31.5 Ų | RDKit |
| LogP | -0.9380999999999999 | RDKit |
| Molar Refractivity | 22.712799999999998 | RDKit |
