Sodium 1-Propanesulfonate [Reagent for Ion-Pair Chromatography] - ≥98%(T) , CAS No.14533-63-2

CAS: 14533-63-2 Cat. No.: S161104 Molecular Weight: 146.14 EC Number: 238-564-7 PubChem CID: 4319363

GRADE & PURITY ≥98%(T)

Synonyms

1-PROPANESULFONIC ACID SODIUM SALT | C3H7NaO3S | sodiumpropane-1-sulfonate | EINECS 238-564-7 | IPC-ALKS-3 | MFCD00062546 | 1-Propanesulfonic acid, sodium salt (1:1) | sodium;propane-1-sulfonate | I0341 | ?Sodium 1-propanesulfonate | FT-0608277 | sodium

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

1-PROPANESULFONIC ACID SODIUM SALT | C3H7NaO3S | sodiumpropane-1-sulfonate | EINECS 238-564-7 | IPC-ALKS-3 | MFCD00062546 | 1-Propanesulfonic acid, sodium salt (1:1) | sodium;propane-1-sulfonate | I0341 | ?Sodium 1-propanesulfonate | FT-0608277 | sodium

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 504762958
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762958
• Canonical Smiles: CCCS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;propane-1-sulfonate
• InChIKey: NPAWNPCNZAPTKA-UHFFFAOYSA-M
• INCHI: 1S/C3H8O3S.Na/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1
• Isomeric SMILES: CCCS(=O)(=O)[O-].[Na+]
• PubChem CID: 4319363
• Molecular Weight: 146.14
• Reaxy-Rn: 3714817

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 sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - 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): 255 °C
• Molecular Weight: 146.140 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 146.001 Da
• Monoisotopic Mass: 146.001 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 122.000
• 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

1. Chun Xiong, Binyu Kuang, Xueyan Chen, Xiaolei Ding, Huichao Liu, Xiangyu Pei, Zhengning Xu, Fei Zhang, Shikuan Yang, Huan Hu, Zhibin Wang.  (2025)  Morphology Rather Than Surface Tension Determines CCN Activity of Submicron Inorganic Salt/Organic Oxidized Sulfur Mixed Particles.  JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES,  130  (5): (e2024JD041920).  [PMID:] [10.1029/2024JD041920]