2-(tert-Butyldimethylsilyl)-N,N-dimethyl-1H-imidazole-1-sulfonamide - ≥97% , CAS No.129378-52-5

CAS: 129378-52-5 Cat. No.: T405319 Molecular Weight: 289.47 EC Number: 834-837-5 PubChem CID: 6420209

GRADE & PURITY ≥97%

Synonyms

EN300-18780454 | MFCD12963638 | BS-15157 | T70193 | N,N-Dimethyl-2-(tert-butyldimethylsilanyl)imidazole-1-sulfonamide | 2-(tert-Butyldimethylsilyl)-N,N-dimethyl-1H-imidazole-1-sulfonamide | 1-(N,N-dimethylsulphamoyl)-2-tert-butyldimethylsilylimidazole | S

Storage

Room temperature

Specifications

Synonyms

EN300-18780454 | MFCD12963638 | BS-15157 | T70193 | N, N-Dimethyl-2-(tert-butyldimethylsilanyl)imidazole-1-sulfonamide | 2-(tert-Butyldimethylsilyl)-N, N-dimethyl-1H-imidazole-1-sulfonamide | 1-(N, N-dimethylsulphamoyl)-2-tert-butyldimethylsilylimidazole | S

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488195752
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195752
• Canonical Smiles: CC(C)(C)[Si](C)(C)C1=NC=CN1S(=O)(=O)N(C)C
• IUPAC Name: 2-[tert-butyl(dimethyl)silyl]-N,N-dimethylimidazole-1-sulfonamide
• InChIKey: TZBRCDMGXKRTCN-UHFFFAOYSA-N
• INCHI: 1S/C11H23N3O2SSi/c1-11(2,3)18(6,7)10-12-8-9-14(10)17(15,16)13(4)5/h8-9H,1-7H3
• Isomeric SMILES: CC(C)(C)[Si](C)(C)C1=NC=CN1S(=O)(=O)N(C)C
• PubChem CID: 6420209
• Molecular Weight: 289.47
• Reaxy-Rn: 3618350

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: Alkylarylsilanes N-substituted imidazoles Heteroaromatic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Alkylsilanes
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-sulfamoyl-1,2,3-triazole - Alkylarylsilane - N-substituted imidazole - Imidazole - Heteroaromatic compound - Organic metalloid salt - Azacycle - Organosilicon compound - Organic oxide - Alkylsilane - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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 Toluene
• Melt Point(°C): 64 °C
• Molecular Weight: 289.470 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 289.128 Da
• Monoisotopic Mass: 289.128 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 395.000
• 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

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