Sodium 2,3-dimercaptopropanesulfonate monohydrate（DMPS Monohydrate） - ≥95% , CAS No.207233-91-8

CAS: 207233-91-8 Cat. No.: S102478 Molecular Weight: 228.29 Beilstein Registry Number: 3734863 EC Number: 606-614-0 PubChem CID: 23676755

GRADE & PURITY ≥95%

Synonyms

J-200116 | NCGC00166409-01 | H10963 | Sodium 2,3-dimercaptopropane sulfonate monohydrate | CCG-208231 | MFCD00149543 | DMPS | 1-Propanesulfonic acid, 2,3-dimercapto-, sodium salt, hydrate (1:1:1) | FT-0628969 | 2,4-Dihydroxy-6-(6alpha,10-dihydroxyundecyl)

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.
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

J-200116 | NCGC00166409-01 | H10963 | Sodium 2, 3-dimercaptopropane sulfonate monohydrate | CCG-208231 | MFCD00149543 | DMPS | 1-Propanesulfonic acid, 2, 3-dimercapto-, sodium salt, hydrate (1:1:1) | FT-0628969 | 2, 4-Dihydroxy-6-(6alpha, 10-dihydroxyundecyl)

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: 504769613
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769613
• Canonical Smiles: C(C(CS(=O)(=O)[O-])S)S.O.[Na+]
• IUPAC Name: sodium;2,3-bis(sulfanyl)propane-1-sulfonate;hydrate
• InChIKey: XMUHNMQFDVIWGU-UHFFFAOYSA-M
• 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
• Isomeric SMILES: C(C(CS(=O)(=O)[O-])S)S.O.[Na+]
• WGK Germany: 3
• PubChem CID: 23676755
• Molecular Weight: 228.29
• 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

Associated Targets(Human)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

pfk 6-phospho-1-fructokinase (7870 Activities)

Discover Target: pfk

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ddn Putative uncharacterized protein (49 Activities)

Discover Target: ddn

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Air Sensitive,Heat Sensitive
• Melt Point(°C): 215°C
• Molecular Weight: 228.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 227.956 Da
• Monoisotopic Mass: 227.956 Da
• Topological Polar Surface Area: 68.600 Ų
• Heavy Atom Count: 11
• 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: 3

XLogP3

References

1. Jinghua Li, Yiwen Ou, Lijuan Wang, Yue Zheng, Weiyun Xu, Jianbiao Peng, Xin Zhang, Zhiguo Cao, Junpei Ye.  (2023)  Responses of a polycyclic aromatic hydrocarbon-degrading bacterium, Paraburkholderia fungorum JT-M8, to Cd (II) under P-limited oligotrophic conditions.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38056271] [10.1016/j.jhazmat.2023.133123]

2. Qi Zuo, Hong Zheng, Pengyi Zhang, Yu Zhang, Jiejing Zhang, Baichao Zhang.  (2023)  Facile green preparation of single- and two-component modified activated carbon fibers for efficient trace heavy metals removal from drinking water.  CHEMOSPHERE,      [PMID:36634718] [10.1016/j.chemosphere.2023.137799]