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Molecule
Thiosulfuric Acid (H2S2O3), Ss,Ss′-1,6-Hexanediyl Ester, Sodium Salt (1:2)
CAS: 5719-73-3 · C6H14Na2O6S4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5719-73-3
- Molecular Formula
- C6H14Na2O6S4
- Molecular Mass
- 356.42 g/mol
Identifiers
CAS Registry Number
5719-73-3
SMILES
O=S(=O)(O)SCCCCCCSS(=O)(=O)O.[Na].[Na]
InChI Key
KWULFNUKDCONFO-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O6S4.2Na/c7-15(8,9)13-5-3-1-2-4-6-14-16(10,11)12;;/h1-6H2,(H,7,8,9)(H,10,11,12);;
Names and Synonyms
- Thiosulfuric Acid (H2S2O3), Ss,Ss′-1,6-Hexanediyl Ester, Sodium Salt (1:2) Synonym
- Thiosulfuric acid (H2S2O3), SS,SS′-1,6-hexanediyl ester, sodium salt (1:2) Synonym
- Thiosulfuric acid, S,S′-hexamethylene ester, disodium salt Synonym
- Thiosulfuric acid (H2S2O3), S,S′-1,6-hexanediyl ester, disodium salt Synonym
- Hexamethylene sodium thiosulfate Synonym
- Disodium hexamethylenebis(thiosulfate) Synonym
- Duralink HTS Synonym
- 1,6-Hexamethylenebis(sodium thiosulfate) Synonym
- ERP 390 Synonym
- Sodium 1,6-hexamethylenebisthiosulfate Synonym
- Duralink DHTS Synonym
- Disodium 1,6-hexamethylenebisthiosulfate Synonym
- HTS Synonym
- HTSNa Synonym
- SR 008 Synonym
- Duralink HTS-PDR-D-S Synonym
- ZXK-HTS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 356.42 g/mol | CAS Common Chemistry |
| 358.408 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)SCCCCCCSS(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H14O6S4.2Na/c7-15(8,9)13-5-3-1-2-4-6-14-16(10,11)12;;/h1-6H2,(H,7,8,9)(H,10,11,12);; | CAS Common Chemistry |
| InChI Key | InChIKey=KWULFNUKDCONFO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Thiosulfuric acid (H2S2O3), SS,SS′-1,6-hexanediyl ester, sodium salt (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 108.74 Ų | RDKit |
| LogP | 0.8572000000000002 | RDKit |
| 0.8572 | RDKit | |
| Molar Refractivity | 77.98920000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 355.946860728 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 356.42 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14Na2O6S4.
