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Thiosulfuric Acid (H2S2O3), Ss,Ss′-1,6-Hexanediyl Ester, Sodium Salt (1:2)
CAS: 5719-73-3 | C6H14Na2O6S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5719-73-3
Molecular Formula:
C6H14Na2O6S4
Molecular Mass:
356.42 g/mol
Names and Synonyms:
Thiosulfuric Acid (H2S2O3), Ss,Ss′-1,6-Hexanediyl Ester, Sodium Salt (1:2)
Thiosulfuric acid (H2S2O3), SS,SS′-1,6-hexanediyl ester, sodium salt (1:2)
Thiosulfuric acid, S,S′-hexamethylene ester, disodium salt
Thiosulfuric acid (H2S2O3), S,S′-1,6-hexanediyl ester, disodium salt
Hexamethylene sodium thiosulfate
Disodium hexamethylenebis(thiosulfate)
Duralink HTS
1,6-Hexamethylenebis(sodium thiosulfate)
ERP 390
Sodium 1,6-hexamethylenebisthiosulfate
Duralink DHTS
Disodium 1,6-hexamethylenebisthiosulfate
HTS
HTSNa
SR 008
Duralink HTS-PDR-D-S
ZXK-HTS
Identifiers:
SMILES:
O=S(=O)(O)SCCCCCCSS(=O)(=O)O.[Na].[Na]
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);;
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 | 356.42 g/mol | CAS Common Chemistry |
| 355.946860728 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 77.98920000000003 | RDKit |
