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Molecule
Sodium Thiosulfate Pentahydrate
CAS: 10102-17-7 · H12Na2O8S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10102-17-7
- Molecular Formula
- H12Na2O8S2
- Molecular Mass
- 250.20 g/mol
Identifiers
CAS Registry Number
10102-17-7
SMILES
O.O.O.O.O.O=S(O)(O)=S.[Na].[Na]
InChI Key
JIWXHKJJHDWKGC-UHFFFAOYSA-N
InChI
InChI=1S/2Na.H2O3S2.5H2O/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);5*1H2
Names and Synonyms
- Sodium Thiosulfate Pentahydrate Synonym
- Disodium thiosulphate pentahydrate Synonym
- Thiosulfuric acid (H2S2O3), sodium salt, hydrate (1:2:5) Synonym
- Thiosulfuric acid, disodium salt, pentahydrate Synonym
- Thiosulfuric acid (H2S2O3), disodium salt, pentahydrate Synonym
- Hypo Synonym
- Sodium thiosulfate pentahydrate Synonym
- Disodium thiosulfate pentahydrate Synonym
- Sodium thiosulfate pentahydrate (Na2S2O3.5H2O) Synonym
- Sodium thiosulfate (Na2S2O3) pentahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 250.20 g/mol | CAS Common Chemistry |
| 250.20200000000003 g/mol | RDKit | |
| 250.202 g/mol | RDKit | |
| 252.204 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)S.O | CAS Common Chemistry |
| InChI | InChI=1S/2Na.H2O3S2.5H2O/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);5*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JIWXHKJJHDWKGC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65 °C | CAS Common Chemistry |
| Name | Sodium thiosulfate pentahydrate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 215.02999999999997 Ų | RDKit |
| 215.03 Ų | RDKit | |
| LogP | -5.206399999999998 | RDKit |
| -5.2064 | RDKit | |
| Molar Refractivity | 50.34200000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 249.97689790399997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 250.20 g/mol. Edit any field — others recompute live.
