1-(2,4,6-Triisopropylbenzenesulfonyl)imidazole - ≥98% , CAS No.50257-40-4

CAS: 50257-40-4 Cat. No.: T113353 Peso molecular: 334.48 Beilstein Registry Number: 962743 Número EC: 256-509-5 PubChem CID: 521274

GRADE & PURITY ≥98%

Synonyms

1-(2,4,6-triisopropylbenzenesulfonyl)-1h-imidazole | 1H-Imidazole, 1-((2,4,6-triisopropylphenyl)sulfonyl)- | 1H-Imidazole, 1-((2,4,6-tris(1-methylethyl)phenyl)sulfonyl)- | 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole | 1-(2',4',6'-Triisopropylbenzene

Storage

Desiccated,Room temperature

Shipped In

Normal

Descripción general

Coupling or condensing agent in oligonucleotide synthesis.

Specifications

Sinónimos

1-(2, 4, 6-triisopropylbenzenesulfonyl)-1h-imidazole | 1H-Imidazole, 1-((2, 4, 6-triisopropylphenyl)sulfonyl)- | 1H-Imidazole, 1-((2, 4, 6-tris(1-methylethyl)phenyl)sulfonyl)- | 1-[2, 4, 6-tri(propan-2-yl)phenyl]sulfonylimidazole | 1-(2', 4', 6'-Triisopropylbenzene

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Desiccated, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488190099
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190099
• Sonrisas canónicas: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=CN=C2)C(C)C
• IUPAC Name: 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole
• InChIKey: AGGRGODMKWLSDE-UHFFFAOYSA-N
• INCHI: 1S/C18H26N2O2S/c1-12(2)15-9-16(13(3)4)18(17(10-15)14(5)6)23(21,22)20-8-7-19-11-20/h7-14H,1-6H3
• Isómeros SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=CN=C2)C(C)C
• PubChem CID: 521274
• Peso molecular: 334.48
• Beilstein: 962743
• Reaxy-Rn: 962743

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Phenylpropanes Cumenes Benzenesulfonyl compounds N-substituted imidazoles Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Cumene - Phenylpropane - Benzenesulfonyl group - N-substituted imidazole - Azole - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive
• Punto de fusión (°C): 118-120°C
• Peso molecular: 334.500 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 334.171 Da
• Monoisotopic Mass: 334.171 Da
• Topological Polar Surface Area: 60.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 464.000
• 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