3-Methylazetidine-1-sulfonamide - ≥98% , CAS No.1418112-83-0

CAS: 1418112-83-0 Cat. No.: M587191 Peso molecular: 150.2

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1CN(C1)S(=O)(=O)N
• IUPAC Name: 3-methylazetidine-1-sulfonamide
• InChIKey: AVSGFRVSZZIUNB-UHFFFAOYSA-N
• INCHI: 1S/C4H10N2O2S/c1-4-2-6(3-4)9(5,7)8/h4H,2-3H2,1H3,(H2,5,7,8)
• Isómeros SMILES: CC1CN(C1)S(=O)(=O)N
• Peso molecular: 150.2
• Reaxy-Rn: 23334414
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23334414&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid diamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid diamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid diamides
• Alternative Parents: Azetidines Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Sulfuric acid diamide - Azetidine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfuric acid diamides. These are organic compounds containing the sulfuric acid diamide functional group, with the generic structure R1N(R2)S(=O)(=O)ON(R3)R4 (R1-R4 = H or organyl.
• 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

Propiedades químicas y físicas

• Peso molecular: 150.200 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 150.046 Da
• Monoisotopic Mass: 150.046 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 187.000
• 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