1,1′-Sulfonyldiimidazole - ≥98% , CAS No.7189-69-7

CAS: 7189-69-7 Cat. No.: S120344 Peso molecular: 198.20 Número EC: 230-554-0

GRADE & PURITY ≥98%

Synonyms

DTXSID30222152 | N,N'-Sulfonyldiimidazole | W-104507 | dimethyl(1R,2R)-cyclobutane-1,2-dicarboxylate | 1-(1H-Imidazol-1-ylsulfonyl)-1H-imidazole # | A837354 | AKOS009157421 | N,N'-Sulfonyldiimidazole(SDI) | FT-0636387 | SY017299 | 1,1 inverted exclamation

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

The mol-ecule of 1,1′-sulfonyldiimidazole, is reported to possess a pseudo-twofold rotation axis of symmetry passing through the S atom. It undergoes one pot Suzuki Coupling reaction to afford 1-phenylnaphthalene

Specifications

Sinónimos

DTXSID30222152 | N, N'-Sulfonyldiimidazole | W-104507 | dimethyl(1R, 2R)-cyclobutane-1, 2-dicarboxylate | 1-(1H-Imidazol-1-ylsulfonyl)-1H-imidazole # | A837354 | AKOS009157421 | N, N'-Sulfonyldiimidazole(SDI) | FT-0636387 | SY017299 | 1, 1 inverted exclamation

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185986
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185986
• Sonrisas canónicas: C1=CN(C=N1)S(=O)(=O)N2C=CN=C2
• IUPAC Name: 1-imidazol-1-ylsulfonylimidazole
• InChIKey: ZLKNPIVTWNMMMH-UHFFFAOYSA-N
• INCHI: 1S/C6H6N4O2S/c11-13(12,9-3-1-7-5-9)10-4-2-8-6-10/h1-6H
• Isómeros SMILES: C1=CN(C=N1)S(=O)(=O)N2C=CN=C2
• WGK Alemania: 3
• Peso molecular: 198.20
• Reaxy-Rn: 611815

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 Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-sulfamoyl-1,2,3-triazole - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air sensitive; Moisture sensitive
• Punto de fusión (°C): 135-137°C
• Peso molecular: 198.210 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 198.021 Da
• Monoisotopic Mass: 198.021 Da
• Topological Polar Surface Area: 78.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 251.000
• 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