Marvin  02080613532D          

 22 14  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.2365    0.0000    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.2365   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4115    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0615    0.0000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.2365    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5220    1.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2365    2.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510    1.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5220   -1.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2365   -2.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510   -1.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0395    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0395   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 17 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  CHG  4   1   1   4  -1   5  -1  22   1
M  END
> <ID>
CHEBI:32150

> <NAME>
sodium thiosulfate pentahydrate

> <DEFINITION>
A hydrate consisting of sodium thiosulfate with 5 mol eq. of water.

> <STAR>
3

> <SYNONYM>
thiosulfuric acid, disodium salt, pentahydrate; sodium thiosulfate pentahydrate; Sodium thiosulfate; sodium sulfurothioate hydrate (2:1:5); Na2S2O3.5H2O; disodium thiosulphate pentahydrate; disodium thiosulfate pentahydrate

> <IUPAC_NAME>
sodium sulfurothioate--water (1/5)

> <BRAND_NAME>
PEDMARK

> <FORMULA>
H10Na2O8S2; 2Na.O3S2.5H2O; O3S2.2Na.5H2O

> <MASS>
248.18614

> <MONOISOTOPIC_MASS>
247.96125

> <CHARGE>
0

> <SMILES>
[Na+].[Na+].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[O-]S([S-])(=O)=O

> <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

> <CAS_REGISTRY_NUMBER>
10102-17-7

> <CHEMIDPLUS>
10102-17-7

> <DRUGBANK_ACCESSION>
DBSALT002505

> <KEGG_DRUG_ACCESSION>
D01091

> <PUBMED_CITATION>
31393123; 36517667

$$$$