4-Iodo-N,N-dimethyl-1H-imidazole-1-sulfonamide - ≥98% , CAS No.135773-25-0

CAS: 135773-25-0 Cat. No.: N181283 Peso molecular: 301.1 Número EC: 801-886-9

GRADE & PURITY ≥98%

Synonyms

A806986 | AS-17908 | D94892 | MFCD02179543 | 1-(N,N-dimethylsulfamoyl)-4-iodoimidazole | 4-iodo-N,N-dimethyl-imidazole-1-sulfonamide | 4-iodo-N,N-dimethylimidazole-1-sulfonamide | 1H-Imidazole-1-sulfonamide, 4-iodo-N,N-dimethyl- | N,N-Dimethyl-4-iodo-1H-i

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

A806986 | AS-17908 | D94892 | MFCD02179543 | 1-(N, N-dimethylsulfamoyl)-4-iodoimidazole | 4-iodo-N, N-dimethyl-imidazole-1-sulfonamide | 4-iodo-N, N-dimethylimidazole-1-sulfonamide | 1H-Imidazole-1-sulfonamide, 4-iodo-N, N-dimethyl- | N, N-Dimethyl-4-iodo-1H-i

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

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: CN(C)S(=O)(=O)N1C=C(N=C1)I
• IUPAC Name: 4-iodo-N,N-dimethylimidazole-1-sulfonamide
• InChIKey: HSJHNZMKMJPPGU-UHFFFAOYSA-N
• INCHI: 1S/C5H8IN3O2S/c1-8(2)12(10,11)9-3-5(6)7-4-9/h3-4H,1-2H3
• Isómeros SMILES: CN(C)S(=O)(=O)N1C=C(N=C1)I
• Peso molecular: 301.1
• Reaxy-Rn: 4804454
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4804454&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-sulfamoyl-1,2,3-triazoles
• Alternative Parents: N-substituted imidazoles Aryl iodides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-sulfamoyl-1,2,3-triazole - Aryl halide - Aryl iodide - N-substituted imidazole - Imidazole - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-sulfamoyl-1,2,3-triazoles. These are compounds containing a 1,2,3-triazole that carries a sulfamoyl group at the 1-position.
• 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: 301.110 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 300.938 Da
• Monoisotopic Mass: 300.938 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 248.000
• 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