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10102-17-7 molecular structure
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disodium 1-oxo-1λ6-disulfene-1,1-bis(olate) pentahydrate

ChemBase ID: 151891
Molecular Formular: H10Na2O8S2
Molecular Mass: 248.18414
Monoisotopic Mass: 247.96124784
SMILES and InChIs

SMILES:
O.O.O.O.O.[O-]S(=O)(=S)[O-].[Na+].[Na+]
Canonical SMILES:
[O-]S(=S)(=O)[O-].O.O.O.O.O.[Na+].[Na+]
InChI:
InChI=1S/2Na.H2O3S2.5H2O/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);5*1H2/q2*+1;;;;;;/p-2
InChIKey:
PODWXQQNRWNDGD-UHFFFAOYSA-L

Cite this record

CBID:151891 http://www.chembase.cn/molecule-151891.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium 1-oxo-1λ6-disulfene-1,1-bis(olate) pentahydrate
IUPAC Traditional name
disodium hypo pentahydrate
Synonyms
Sodium thiosulfate pentahydrate
硫代硫酸钠 五水合物
CAS Number
10102-17-7
EC Number
231-867-5
MDL Number
MFCD00149186
PubChem SID
162246037
24890338
24858966
24899794
24899719
24863712
24848186
24886349
24853004
PubChem CID
61475

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.69897  H Acceptors
H Donor LogD (pH = 5.5) -2.1907825 
LogD (pH = 7.4) -2.3771908  Log P 0.048317563 
Molar Refractivity 19.5183 cm3 Polarizability 9.065478 Å3
Polar Surface Area 63.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
H2O: soluble1 M, clear, colorless expand Show data source
Apperance
powder and chunks expand Show data source
pH
6.0-7.5 (25 °C, 1 M in H2O) expand Show data source
6.0-7.5 (25 °C, 5%) expand Show data source
6.0-7.5 (-25 °C1 M in H2O) expand Show data source
6.0-8.4 (20 °C, 10%) expand Show data source
6.0-8.4 (25 °C, 5% in solution) expand Show data source
6.0-8.4 (25 °C, 5%) expand Show data source
6.0-8.4 (25 °C, 50 mg/mL in H2O) expand Show data source
6.0-8.5 (20 °C, 50 mg/mL in H2O) expand Show data source
RTECS
WE6660000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% expand Show data source
≥99.0% (RT) expand Show data source
≥99.5% expand Show data source
≥99.5% (RT) expand Show data source
≥99.5% (T) expand Show data source
99.5% expand Show data source
99.5-101.0% expand Show data source
99.5-101.0% (ACS specification) expand Show data source
99.999% trace metals basis expand Show data source
99-101% expand Show data source
Grade
ACS reagent expand Show data source
ACS reagent, reag. ISO, reag. Ph. Eur. expand Show data source
for mass spectrometry expand Show data source
JIS special grade expand Show data source
puriss. expand Show data source
puriss. p.a. expand Show data source
purum p.a. expand Show data source
ReagentPlus® expand Show data source
SAJ first grade expand Show data source
Suitability
complies for appearance of solution expand Show data source
meets USP testing specifications expand Show data source
Impurities
≤0.0005% heavy metals (as Pb) expand Show data source
≤0.0005% Phosphorus (P) expand Show data source
≤0.002% N compounds expand Show data source
≤0.002% Nitrogen compounds (as N) expand Show data source
≤0.002% total nitrogen (N) expand Show data source
≤0.005% Insoluble matter expand Show data source
≤0.005% insolubles expand Show data source
insoluble matter, passes filter test expand Show data source
residual solvents, complies expand Show data source
Cation Traces
Al: ≤0.0005% expand Show data source
Al: ≤1 mg/kg expand Show data source
Al: ≤5 mg/kg expand Show data source
As: ≤3 mg/kg expand Show data source
Ba: ≤1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Bi: ≤1 mg/kg expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤0.0005% expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤20 mg/kg expand Show data source
Ca: ≤5 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤1 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤1 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤1 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤0.0005% expand Show data source
Cu: ≤1 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤0.0005% expand Show data source
Fe: ≤10 mg/kg expand Show data source
Fe: ≤2 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
K: ≤0.005% expand Show data source
K: ≤10 mg/kg expand Show data source
K: ≤100 mg/kg expand Show data source
K: ≤50 mg/kg expand Show data source
Li: ≤1 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤0.0005% expand Show data source
Mg: ≤10 mg/kg expand Show data source
Mg: ≤2 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤1 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤1 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
NH4+: ≤0.05% expand Show data source
Ni: ≤1 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤0.001% expand Show data source
Pb: ≤1 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Sr: ≤1 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤0.0005% expand Show data source
Zn: ≤1 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤100 mg/kg expand Show data source
chloride (Cl-): ≤200 mg/kg expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
chloride (Cl-): ≤500 mg/kg expand Show data source
S2-: passes test expand Show data source
SO42- and SO32-: ≤0.1% expand Show data source
sulfate (SO42-): ≤0.1% expand Show data source
sulfate, sulfite (as SO42-): ≤0.1% expand Show data source
sulfate, sulfite (as SO42-): ≤1000 mg/kg expand Show data source
sulfate, sulfite (as SO42-): ≤2000 mg/kg expand Show data source
sulfate, sulfite (as SO42-): ≤500 mg/kg expand Show data source
sulfide (S2-): ≤1 mg/kg expand Show data source
sulfide (S2-): ≤50 mg/kg expand Show data source
sulfide (S2-): in accordance expand Show data source
sulfide (S2-): passes test (limit about 1 ppm) expand Show data source
Loss on Drying
32-37% loss on drying, 16 h (vacuum) expand Show data source
Quality
crystallized expand Show data source
meets analytical specification of Ph. Eur., BP, USP expand Show data source
Product Line
BioUltra expand Show data source
BioXtra expand Show data source
abs.
absorption1M/289 nm, H2O cut-off expand Show data source
Linear Formula
Na2S2O3 · 5H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 72048 external link
Other Notes
Preparation of modified agarose gels containing thiol groups. Converts the introduced epoxide groups into S-alkyl-thiosulfate structures1; Assay of cytochrome c32; A component of culture media for detecting thiosulfate-reducing bacteria3,4.
Sigma Aldrich - 380016 external link
Application
Applied in a widely useful, thiosulfate-assisted, synthesis of a variety of diamine-CuCN complexes.1
Packaging
25 g in poly bottle
Sigma Aldrich - S8503 external link
Packaging
2.5 kg in poly drum
500 g in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 217247 external link
Application
Applied in a widely useful, thiosulfate-assisted, synthesis of a variety of diamine-CuCN complexes.1
Packaging
2.5 kg in poly bottle
25, 500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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