Hydroxyethanesulfonic acid - ≥80% , CAS No.107-36-8

CAS: 107-36-8 Cat. No.: H113068 Peso molecular: 126.1 Número EC: 203-484-3

GRADE & PURITY ≥80%

Synonyms

W-108750 | 2-Hydroxyethane-1-sulfonic acid | Isethionic acid pound 80% in water pound(c) | EN300-243452 | 2-hydroxyethane-1-sulfonate | 4-04-00-00084 (Beilstein Handbook Reference) | AI3-19644 | Kyselina isethionova | UNII-97J3QN9884 | USAF DO-14 | A80168

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

W-108750 | 2-Hydroxyethane-1-sulfonic acid | Isethionic acid pound 80% in water pound(c) | EN300-243452 | 2-hydroxyethane-1-sulfonate | 4-04-00-00084 (Beilstein Handbook Reference) | AI3-19644 | Kyselina isethionova | UNII-97J3QN9884 | USAF DO-14 | A80168

Especificaciones y pureza

≥80%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥80%

Nombres e identificadores

• Pubchem Sid: 488180590
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180590
• Sonrisas canónicas: C(CS(=O)(=O)O)O
• IUPAC Name: 2-hydroxyethanesulfonic acid
• InChIKey: SUMDYPCJJOFFON-UHFFFAOYSA-N
• INCHI: 1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)
• Isómeros SMILES: C(CS(=O)(=O)O)O
• Peso molecular: 126.1
• Reaxy-Rn: 1751214
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751214&ln=

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 Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Alcohol - 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: alkanesulfonic acid

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: 126.130 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 125.999 Da
• Monoisotopic Mass: 125.999 Da
• Topological Polar Surface Area: 83.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 117.000
• 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

Referencias

1. Maoru Xu, Yanfeng Duan, Hongfu Li, Shoulin He, Xingyu Zi, Yanting Zhao, Cheng Jiao, Xiaoyun Li.  (2025)  A Pathway for Sugar Production from Agricultural Waste Catalyzed by Sulfonated Magnetic Carbon Microspheres.  MOLECULES,  30  (13): (2675).  [PMID:40649194] [10.3390/molecules30132675]