Sodium 1-pentanesulfonate monohydrate - ≥98%(T) , CAS No.207605-40-1

CAS: 207605-40-1 Cat. No.: S432306 Peso molecular: 192.21 Beilstein Registry Number: 3725147 Número EC: 688-451-5 PubChem CID: 23693099

GRADE & PURITY ≥98%(T)

Synonyms

SCHEMBL5821641 | F10035 | DTXSID10635660 | 1266615-65-9 | C5H13NaO4S | Sodium 1-pentanesulfonate monohydrate | 1-pentanesulfonic acid sodium salt monohydrate | A816345 | 1-Pentanesulfonic acid, sodium salt, hydrate (1:1:1) | SODIUM 1-PENTANESULFONATE HYDR

Storage

Room temperature

Descripción general

Sodium 1-pentanesulfonate is mainly used as an ion-pairing agent in chromatographic mobile phase.

Specifications

Sinónimos

SCHEMBL5821641 | F10035 | DTXSID10635660 | 1266615-65-9 | C5H13NaO4S | Sodium 1-pentanesulfonate monohydrate | 1-pentanesulfonic acid sodium salt monohydrate | A816345 | 1-Pentanesulfonic acid, sodium salt, hydrate (1:1:1) | SODIUM 1-PENTANESULFONATE HYDR

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: CCCCCS(=O)(=O)[O-].O.[Na+]
• IUPAC Name: sodium;pentane-1-sulfonate;hydrate
• InChIKey: FPQYXAFKHLSWTI-UHFFFAOYSA-M
• INCHI: 1S/C5H12O3S.Na.H2O/c1-2-3-4-5-9(6,7)8;;/h2-5H2,1H3,(H,6,7,8);;1H2/q;+1;/p-1
• Isómeros SMILES: CCCCCS(=O)(=O)[O-].O.[Na+]
• WGK Alemania: 3
• PubChem CID: 23693099
• Peso molecular: 192.21
• Beilstein: 3725147

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 192.210 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 192.043 Da
• Monoisotopic Mass: 192.043 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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: 3

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