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Sodium Sulfide Nonahydrate
CAS: 1313-84-4 | H18Na2O9S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1313-84-4
Molecular Formula:
H18Na2O9S
Molecular Mass:
240.18 g/mol
Names and Synonyms:
Sodium Sulfide Nonahydrate
Sodium sulfide (Na2S), nonahydrate
Sodium monosulfide nonahydrate
Sodium sulfide enneahydrate
Sodium sulfide nonahydrate
Disodium sulfide nonahydrate
Identifiers:
SMILES:
O.O.O.O.O.O.O.O.O.[Na].[Na].[S]
InChI:
InChI=1S/2Na.9H2O.S/h;;9*1H2;
Key Properties
Melting Point
52 °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 | 240.18 g/mol | CAS Common Chemistry |
| 240.18200000000002 g/mol | RDKit | |
| 240.04669171599997 g/mol | RDKit | |
| Canonical SMILES | [Na]S[Na].O | CAS Common Chemistry |
| InChI | InChI=1S/2Na.9H2O.S/h;;9*1H2; | CAS Common Chemistry |
| InChI Key | InChIKey=UIINQVYGFKNSPA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52 °C | CAS Common Chemistry |
| Name | Sodium sulfide nonahydrate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 283.5 Ų | RDKit |
| LogP | -7.535699999999994 | RDKit |
| Molar Refractivity | 51.62320000000005 | RDKit |
