Sodium 1-hexadecanesulfonate - 28% in water solution , CAS No.15015-81-3

CAS: 15015-81-3 Cat. No.: S302951 Molecular Weight: 328.48 EC Number: 239-100-6

GRADE & PURITY 28% in water solution

Synonyms

Q27289253 | sodium;hexadecane-1-sulfonate | MFCD00007528 | Hexadecylsulfonic Acid Sodium Salt | sodium palmitylsulfonate | AKOS015901321 | Rhodium, wire, diam. 1.0 mm, 99.9% trace metals basis | EINECS 239-100-6 | Sodium 1-hexadecanesulfonate | Sodium hex

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

Q27289253 | sodium;hexadecane-1-sulfonate | MFCD00007528 | Hexadecylsulfonic Acid Sodium Salt | sodium palmitylsulfonate | AKOS015901321 | Rhodium, wire, diam. 1.0 mm, 99.9% trace metals basis | EINECS 239-100-6 | Sodium 1-hexadecanesulfonate | Sodium hex

Specifications & Purity

28% in water solution

Storage

Room temperature, Desiccated

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;hexadecane-1-sulfonate
• InChIKey: PNGBYKXZVCIZRN-UHFFFAOYSA-M
• INCHI: 1S/C16H34O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1
• Isomeric SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
• Molecular Weight: 328.48

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
• 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 - 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 265 °C
• Molecular Weight: 328.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 328.205 Da
• Monoisotopic Mass: 328.205 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 286.000
• 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. Mingxue Zhang, Jihao Bai, Chengming Sui, Yilin Wang, Ziqi Liu, Tianrun Zheng, Fengmin Liu, Xishuang Liang, Geyu Lu.  (2024)  Uniform Nanocrystal Spatial Distribution-Enhanced SnO2-based Sensor for High-Sensitivity Hydrogen Detection.  ACS Sensors,      [PMID:39215719] [10.1021/acssensors.4c01424]