Sodium 2,3-dimercapto-1-propanesulfonate - ≥95% , CAS No.4076-02-2

CAS: 4076-02-2 Cat. No.: S102482 Molecular Weight: 210.27 Beilstein Registry Number: 3734863 EC Number: 223-796-3 PubChem CID: 2724039

GRADE & PURITY ≥95%

Synonyms

DMPS | sodium 2,3-bis(sulfanyl)propane-1-sulfonate | TZ64200500 | sodium;2,3-bis(sulfanyl)propane-1-sulfonate | AS-64437 | UNITHIOL [MART.] | 1-PROPANESULFONIC ACID, 2,3-DIMERCAPTO-, SODIUM SALT (1:1) | 2,3-Dimercaptopropanesulfonic acid sodium salt | SCH

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Sodium 2,3-dimercaptopropanesulfonate monohydrate is a chelating agent for heavy metals, especially mercury.
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.

Specifications

Synonyms

DMPS | sodium 2, 3-bis(sulfanyl)propane-1-sulfonate | TZ64200500 | sodium;2, 3-bis(sulfanyl)propane-1-sulfonate | AS-64437 | UNITHIOL [MART.] | 1-PROPANESULFONIC ACID, 2, 3-DIMERCAPTO-, SODIUM SALT (1:1) | 2, 3-Dimercaptopropanesulfonic acid sodium salt | SCH

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504760849
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760849
• Canonical Smiles: C(C(CS(=O)(=O)[O-])S)S.[Na+]
• IUPAC Name: sodium;2,3-bis(sulfanyl)propane-1-sulfonate
• InChIKey: FGGPAWQCCGEWTJ-UHFFFAOYSA-M
• INCHI: 1S/C3H8O3S3.Na/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);/q;+1/p-1
• Isomeric SMILES: C(C(CS(=O)(=O)[O-])S)S.[Na+]
• PubChem CID: 2724039
• Molecular Weight: 210.27
• Beilstein: 3734863

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Alkylthiols Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic alkali metal salt - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Molecular Weight: 210.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 209.946 Da
• Monoisotopic Mass: 209.946 Da
• Topological Polar Surface Area: 67.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

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