2-Ethylisothiazolidine 1，1-dioxide - ≥98% , CAS No.73343-04-1

CAS: 73343-04-1 Cat. No.: E725095 Summenformel: C₅H₁₁NO₂S Molekulargewicht: 149.21 PubChem CID: 10844546

QUALITÄT & REINHEIT ≥98%

Storage

Room temperature

Spezifikationen

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CCN1CCCS1(=O)=O

IUPAC Name

2-ethyl-1,2-thiazolidine 1,1-dioxide

InChIKey

OPDWKYYREJZWQH-UHFFFAOYSA-N

INCHI

1S/C5H11NO2S/c1-2-6-4-3-5-9(6,7)8/h2-5H2,1H3

Isomere SMILES

CCN1CCCS1(=O)=O

PubChem CID

10844546

Molekulargewicht

149.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azolidines
      • Subclass Thiazolidines
        • Ebene5 Thiazolidinones
          • Ebene6 Thiazolidinediones
            • Ebene7 Gamma sultams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azolidines
• Subclass: Thiazolidines
• Intermediate Tree Nodes: Thiazolidinones - Thiazolidinediones
• Direct Parent: Gamma sultams
• Alternative Parents: Organosulfonamides Organic sulfonamides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma-sultam - Organosulfonic acid amide - Organic sulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as gamma sultams. These are organic compounds containing a gamma-sultam moiety, a five-member cyclic sulfonamide, containing the NS bond, and three carbon atoms.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 149.210 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 149.051 Da
• Monoisotopic Mass: 149.051 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 180.000
• 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