GRADE & PURITY Ultra pure, ≥99.5%(T)

Synonyms

2-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate | N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview

useful pH range 6.8 - 8.2 pKa (25 °C) 7.5
A structural analog to Tris buffer.

Specifications

Synonyms

2-{[2-hydroxy-1, 1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate | N-Tris(hydroxymethyl)methyl-2-aminoethanesulfonic acid

Specifications & Purity

Ultra pure, ≥99.5%(T)

Biochemical and Physiological Mechanisms

TES is a structural analog to Tris buffer. It is one of the ethanesulfonic acid series of biological buffers developed by Good et al. Good’s buffer criteria: midrange pKa, maximum water solubility and minimum solubility in all other solvents, minimal salt

Storage

Room temperature, Desiccated

Shipped In

Normal

Grade

Ultra pure

Purity

≥99.5%(T)

Names and Identifiers

• Pubchem Sid: 504755558
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755558
• Canonical Smiles: C(CS(=O)(=O)O)NC(CO)(CO)CO
• IUPAC Name: 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethanesulfonic acid
• InChIKey: JOCBASBOOFNAJA-UHFFFAOYSA-N
• INCHI: 1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)
• Isomeric SMILES: C(CS(=O)(=O)O)NC(CO)(CO)CO
• WGK Germany: 1
• PubChem CID: 81831
• Molecular Weight: 229.25
• Beilstein: 1957061
• Reaxy-Rn: 1957061

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 1,2-aminoalcohols Dialkylamines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - 1,2-aminoalcohol - Secondary aliphatic amine - Secondary amine - Organopnictogen compound - Organic oxygen compound - Alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - 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: amino sulfonic acid - ethanolamines - TES

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

• Solubility: Soluble in water (500 mg/ml).
• Sensitivity: Hygroscopic
• Melt Point(°C): 216 °C(dec.)
• Molecular Weight: 229.250 g/mol
• XLogP3: -5.800
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 229.062 Da
• Monoisotopic Mass: 229.062 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 233.000
• 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: 1

References

1. Jiang Tu, Suhui Xie, Qianyu Zhao, Jinping Guan, Chunhong Wu, Peng Wang.  (2022)  Reactive P/S/N-containing synergistic flame retardant towards eco-friendly durable flame-retardant cotton fabric: Flame-retardant property, durability and mechanism.  POLYMER TESTING,      [PMID:] [10.1016/j.polymertesting.2022.107918]