Hexamethylene sodium thiosulfate

C₆H₁₂Na₂O₆S₄CAS 5719-73-3354.38 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂Na₂O₆S₄
Molar mass: 354.38 g/mol
Exact mass: 353.9312 Da
logP: 0.86Crippen estimate
Polar surface area: 108.7 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 9

Identifiers

CAS number

5719-73-3

SMILES

[O-]S(=O)(=O)SCCCCCCSS([O-])(=O)=O.[Na+].[Na+]

InChIKey

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);;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all

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
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

Work with Hexamethylene sodium thiosulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bisultap52207-48-445 % similar Monosultap29547-00-038 % similar Disodium butane-1,4-disulfonate36589-61-436 % similar Potassium tetrathionate13932-13-333 % similar Disodium 1,2-ethanedisulfonate5325-43-933 % similar Disodium methanedisulfonate5799-70-233 % similar Sodium decanesulfonate13419-61-932 % similar Cyclamate139-05-932 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Bis(sodium sulfopropyl) disulfide27206-35-5

Elsewhere

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