2-(Methylamino)ethanesulfonic acid - ≥95% , CAS No.107-68-6

CAS: 107-68-6 Cat. No.: M586325 Molecular Weight: 139.18 EC Number: 203-510-3

GRADE & PURITY ≥95%

Synonyms

N-methyl taurine | DTXSID4025664 | EINECS 203-510-3 | 1H-Pyrazol-3-amine,5-(2-pyridinyl)- | EN300-2982155 | METHYLTAURINE, N- | 2-(N-methyl-amino)-ethanesulfonic acid | Ethanesulfonic acid, 2-(methylamino)- | Taurine, methyl | SCHEMBL167373 | 2-(methylami

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Overview

Product Application:

N-Methyltaurine can be used as a counter ion in the formation of soaps

Specifications

Synonyms

N-methyl taurine | DTXSID4025664 | EINECS 203-510-3 | 1H-Pyrazol-3-amine, 5-(2-pyridinyl)- | EN300-2982155 | METHYLTAURINE, N- | 2-(N-methyl-amino)-ethanesulfonic acid | Ethanesulfonic acid, 2-(methylamino)- | Taurine, methyl | SCHEMBL167373 | 2-(methylami

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CNCCS(=O)(=O)O
• IUPAC Name: 2-(methylamino)ethanesulfonic acid
• InChIKey: SUZRRICLUFMAQD-UHFFFAOYSA-N
• INCHI: 1S/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
• Isomeric SMILES: CNCCS(=O)(=O)O
• NSC Number: NSC Number': ['10479
• Molecular Weight: 139.18
• Reaxy-Rn: 1753802
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1753802&ln=

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 Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Amine - 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

• Solubility: DMSO (Slightly), Methanol (Very Slightly)
• Molecular Weight: 139.180 g/mol
• XLogP3: -3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 139.03 Da
• Monoisotopic Mass: 139.03 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 133.000
• 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. Yansong Wang, Yichong He, Yuxun Wu, Enze Zhao, Hanwei Huang, Zhengbin Yan, Hainan Shen, Fenbo Ma, ShuaiShuai Cao, Bin Tang.  (2026)  A Novel Polyetheretherketone–Chondroitin Sulfate Zinc Composite: Enhancing Osseointegration through the Synergistic Effects of Chondroitin Sulfate and Zinc for Advanced Dental Implant Applications.  ACS Biomaterials Science & Engineering,      [PMID:41507113] [10.1021/acsbiomaterials.5c01189]