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

CAS: 7189-69-7 Cat. No.: S120344 Molecular Weight: 198.20 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185986
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185986
• Canonical Smiles: 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
• Isomeric SMILES: C1=CN(C=N1)S(=O)(=O)N2C=CN=C2
• WGK Germany: 3
• Molecular Weight: 198.20
• Reaxy-Rn: 611815

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Air sensitive; Moisture sensitive
• Melt Point(°C): 135-137°C
• Molecular Weight: 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