2-Hydroxyethanesulfonamide - ≥97% , CAS No.162894-76-0

CAS: 162894-76-0 Cat. No.: H587526 Molecular Weight: 125.15 EC Number: 815-897-1

GRADE & PURITY ≥97%

Synonyms

EN300-192121 | Ethanesulfonamide, 2-hydroxy- | SCHEMBL160212 | Isethionic acid amide | 6CU58SI289 | AKOS015084332 | 2-hydroxyethanesulfonamide | MFCD09029135 | AS-43630 | Z1267897807 | SY031289 | hydroxyethylsulfonamide | UNII-6CU58SI289 | 2-hydroxyethane

Storage

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

Shipped In

Wet ice

Specifications

Synonyms

EN300-192121 | Ethanesulfonamide, 2-hydroxy- | SCHEMBL160212 | Isethionic acid amide | 6CU58SI289 | AKOS015084332 | 2-hydroxyethanesulfonamide | MFCD09029135 | AS-43630 | Z1267897807 | SY031289 | hydroxyethylsulfonamide | UNII-6CU58SI289 | 2-hydroxyethane

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Canonical Smiles: C(CS(=O)(=O)N)O
• IUPAC Name: 2-hydroxyethanesulfonamide
• InChIKey: BLGJHQMNSBYLEZ-UHFFFAOYSA-N
• INCHI: 1S/C2H7NO3S/c3-7(5,6)2-1-4/h4H,1-2H2,(H2,3,5,6)
• Isomeric SMILES: C(CS(=O)(=O)N)O
• Molecular Weight: 125.15
• Reaxy-Rn: 19952771
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19952771&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: Organosulfonamides
• Alternative Parents: Organic sulfonamides Aminosulfonyl compounds Primary alcohols Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonamides. These are compounds containing the sulfonamide functional group, an amide of sulfonic acid with the general structure R1S(=O)2N(R2)R3 (R1=alkyl, aryl; R2,R3=H, alkyl, aryl).
• 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

• Sensitivity: air, moisture and heat sensitive
• Molecular Weight: 125.150 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 125.015 Da
• Monoisotopic Mass: 125.015 Da
• Topological Polar Surface Area: 88.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 120.000
• 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