ContaminantDB: SODIUM THIOSULFATE

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 02:27:04 UTC

Update Date

2016-11-09 01:09:56 UTC

Accession Number

CHEM007534

Identification

Common Name

SODIUM THIOSULFATE

Class

Small Molecule

Description

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

Contaminant Sources

EAFUS Chemicals
FooDB Chemicals
HPV EPA Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Disodium thiosulfate pentahydrate	ChEBI
Na2S2O3.5H2O	ChEBI
PEDMARK	ChEBI
Sodium thiosulfate	ChEBI
Thiosulfuric acid, disodium salt, pentahydrate	ChEBI
Sodium thiosulfate hydrate	Kegg
Detoxol	Kegg
Sulfactol	Kegg
Disodium thiosulfuric acid pentahydric acid	Generator
Disodium thiosulphate pentahydrate	Generator
Disodium thiosulphuric acid pentahydric acid	Generator
Sodium thiosulfuric acid	Generator
Sodium thiosulphate	Generator
Sodium thiosulphuric acid	Generator
Thiosulfate, disodium salt, pentahydrate	Generator
Thiosulfuric acid, disodium salt, pentahydric acid	Generator
Thiosulphate, disodium salt, pentahydrate	Generator
Thiosulphuric acid, disodium salt, pentahydric acid	Generator
Sodium thiosulfuric acid hydric acid	Generator
Sodium thiosulphate hydrate	Generator
Sodium thiosulphuric acid hydric acid	Generator
Sulphactol	Generator
Sodium thiosulfuric acid pentahydric acid	Generator
Sodium thiosulphate pentahydrate	Generator
Sodium thiosulphuric acid pentahydric acid	Generator
Disodium;dioxido-oxo-sulfanylidene-$l^{6}-sulfane;pentahydric acid	Generator
Disodium;dioxido-oxo-sulphanylidene-$l^{6}-sulphane;pentahydrate	Generator
Disodium;dioxido-oxo-sulphanylidene-$l^{6}-sulphane;pentahydric acid	Generator
Pentahydrate OF sodium thiosulfate	MeSH
Sodium thiosulfate anhydrous	MeSH
Sodium thiosulfate pentahydrate	MeSH
Thiosulfuric acid, disodium salt	MeSH

Chemical Formula

H₁₀Na₂O₈S₂

Average Molecular Mass

248.170 g/mol

Monoisotopic Mass

247.961 g/mol

CAS Registry Number

10102-17-7

IUPAC Name

disodium 1-oxo-1λ⁶-disulfene-1,1-bis(olate) pentahydrate

Traditional Name

disodium Hypo pentahydrate

SMILES

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

InChI Identifier

InChI=1S/2Na.H2O3S2.5H2O/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);5*1H2/q2*+1;;;;;;/p-2

InChI Key

PODWXQQNRWNDGD-UHFFFAOYSA-L

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as alkali metal thiosulfates. These are inorganic compounds in which the largest oxoanion is thiosulfate, and in which the heaviest atom not in an oxoanion is an alkali metal.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Alkali metal oxoanionic compounds

Sub Class

Alkali metal thiosulfates

Direct Parent

Alkali metal thiosulfates

Alternative Parents

Substituents

Alkali metal thiosulfate
Inorganic sodium salt
Inorganic oxide
Inorganic sulfide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

hydrate (CHEBI:32150 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	0.048	ChemAxon
pKa (Strongest Acidic)	2.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	63.19 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	19.52 m³·mol⁻¹	ChemAxon
Polarizability	7.76 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DBSALT002505

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Sodium_thiosulfate

Chemspider ID

Not Available

ChEBI ID

32150

PubChem Compound ID

Not Available

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

SODIUM THIOSULFATE (CHEM007534)

Structure for CHEM007534: SODIUM THIOSULFATE