Back to Search
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 Weight:
96.06199999999998 g/mol
Names and Synonyms:
Sodium Sulfide Hydrate
Sodium sulfide hydrate
Sodium sulfide (Na2S), hydrate
Identifiers:
SMILES:
O.[Na].[Na].[S]
InChI:
InChI=1S/2Na.H2O.S/h;;1H2;
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 | 96.06199999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 95.962174244 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 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 | 31.5 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.9380999999999999 | RDKit |
| molecular_mass | 96.06 g/mol | Legacy Database |
| cas-canonical-smile | [Na]S[Na].O None | Legacy Database |
| cas-inchi | InChI=1S/2Na.H2O.S/h;;1H2; None | Legacy Database |
| cas-inchi-key | InChIKey=GDQBTRYKLOBMLL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 183-185 °C None | Legacy Database |
| cas-name | Sodium sulfide hydrate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.712799999999998 | RDKit |
