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Molecule
Sodium Sulfide Nonahydrate
CAS: 1313-84-4 · H18Na2O9S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1313-84-4
- Molecular Formula
- H18Na2O9S
- Molecular Mass
- 240.18 g/mol
Identifiers
CAS Registry Number
1313-84-4
SMILES
O.O.O.O.O.O.O.O.O.[Na].[Na].[S]
InChI Key
UIINQVYGFKNSPA-UHFFFAOYSA-N
InChI
InChI=1S/2Na.9H2O.S/h;;9*1H2;
Names and Synonyms
- Sodium Sulfide Nonahydrate Common Name
- Sodium sulfide (Na2S), nonahydrate Synonym
- Sodium monosulfide nonahydrate Synonym
- Sodium sulfide enneahydrate Synonym
- Sodium sulfide nonahydrate Synonym
- Disodium sulfide nonahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_sulfide_nonahydrate | CAS Common Chemistry |
| Molecular Mass | 240.18 g/mol | CAS Common Chemistry |
| 240.18200000000002 g/mol | RDKit | |
| 240.182 g/mol | RDKit | |
| 244.207 g/mol | chempirical lib | |
| 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 |
| -7.5357 | RDKit | |
| Molar Refractivity | 51.62320000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 240.04669171599997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
External Resources
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MW = 240.18 g/mol. Edit any field — others recompute live.
