3-(Trimethylsilyl)-1-propane sulfonic acid sodium salt (DSS) - ≥97% , CAS No.2039-96-5

CAS: 2039-96-5 Cat. No.: T121789 Molecular Weight: 218.32 Beilstein Registry Number: 4035923 EC Number: 218-031-5 PubChem CID: 5167273

GRADE & PURITY ≥97%

Synonyms

sodium 3-(trimethylsilyl)propane-1-sulfonate | DSS sodium salt | 3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt | Sodium 3-(trimethylsilyl)-1-propanesulfonate | 1-Propanesulfonic acid, 3-(trimethylsilyl)-, sodium salt

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Internal NMR standard for use with D2O

3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt can be used as a reagent to synthesize polyamine block-copolymers. It can also be used as an internal standard in 1H NMR spectroscopy for the measurement of chemical shifts.

Specifications

Synonyms

sodium 3-(trimethylsilyl)propane-1-sulfonate | DSS sodium salt | 3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt | Sodium 3-(trimethylsilyl)-1-propanesulfonate | 1-Propanesulfonic acid, 3-(trimethylsilyl)-, sodium salt

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504763246
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763246
• Canonical Smiles: C[Si](C)(C)CCCS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;3-trimethylsilylpropane-1-sulfonate
• InChIKey: HWEXKRHYVOGVDA-UHFFFAOYSA-M
• INCHI: 1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1
• Isomeric SMILES: C[Si](C)(C)CCCS(=O)(=O)[O-].[Na+]
• WGK Germany: 3
• PubChem CID: 5167273
• Molecular Weight: 218.32
• Beilstein: 4035923
• Reaxy-Rn: 4035923

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 Organic metalloid salts Organic sodium salts Organic oxides Hydrocarbon derivatives Alkylsilanes Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Organic metalloid salt - Organic alkali metal salt - Organic sodium salt - Organic salt - Hydrocarbon derivative - Organosilicon compound - Alkylsilane - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic metalloid moeity - Organic cation - 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: moisture sensitive
• Melt Point(°C): 165°C
• Molecular Weight: 218.320 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 218.041 Da
• Monoisotopic Mass: 218.041 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• 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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2. Jiaqi Feng, Yanlin Wang, Guilin Li, Qizhou Xue, Min Wang, Xiaofu Sun, Shaojuan Zeng, Xiangping Zhang.  (2024)  CO2 electroreduction to C2+ products with ampere-level current density over sodium citrate modified Cu2O.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2024.125014]

3. Zhiwei He, Hongbo Zhang.  (2024)  Converting CO2 Into Natural Gas Within the Autoclave: A Kinetic Study on Hydrogenation of Carbonates in Aqueous Solution.  ChemSusChem,      [PMID:38923202] [10.1002/cssc.202400478]

4. Xia Jiang, Zijiao Yang, Jingyao Zhang, Huan Liang, Hongge Wang, Jiong Lu.  (2024)  Preparation and characterization of photosensitive methacrylate-grafted sodium carboxymethyl cellulose as an injectable material to fabricate hydrogels for biomedical applications.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:38360247] [10.1016/j.ijbiomac.2024.130190]

5. Zhen Wang, Lei Ying, Weibin Xu, Beien Zhu, Chuande Huang, Pengfei Wu, Qingqing Gu, Bing Yang, Jian Lin, Yi Gao, Xiaodong Wang, Tao Zhang.  (2025)  Aunano-Fe1 tandem catalysis for promoted methane conversion to acetic acid by O2 oxidation.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2025.125632]