Sodium 2,3-dimercaptopropanesulfonate monohydrate

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Molecular Formula:

C3H9NaO4S3

Molecular Weight:

228.29

CAS Number:

207233-91-8

Catalog Number:

207233-91-8

Product Information

Molecular Formula:

C3H9NaO4S3

Molecular Weight:

228.29

Description

Sodium 2,3-dimercaptopropanesulfonate monohydrate has been used in a study to assess its use as an antidote against non-metallic pesticides as nereistoxin insecticides. It has also been noted in a review of existing chelating agents for the treatment of heavy metals and metalloid intoxication.

Synonyms

sodium;2,3-bis(sulfanyl)propane-1-sulfonate;hydrate

IUPAC Name

sodium;2,3-bis(sulfanyl)propane-1-sulfonate;hydrate

Canonical SMILES

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

InChI

InChI=1S/C3H8O3S3.Na.H2O/c4-9(5,6)2-3(8)1-7;;/h3,7-8H,1-2H2,(H,4,5,6);;1H2/q;+1;/p-1

InChI Key

XMUHNMQFDVIWGU-UHFFFAOYSA-M

Melting Point

229 °C

Flash Point

230 °F

Purity

> 98 %

Appearance

White to practically white fine crystalline powder

Storage

2-8 °C

LogP

0.77630

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

227.95606657 g/mol

Monoisotopic Mass

227.95606657 g/mol

Topological Polar Surface Area

68.6Å²

Heavy Atom Count

Formal Charge

Complexity

160

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Sodium 2,3-dimercaptopropanesulfonate monohydrate

Product Information

Computed Properties

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