Tetramethylammonium p-Toluenesulfonate - ≥99%(T) , CAS No.3983-91-3

CAS: 3983-91-3 Cat. No.: T162211 Peso molecular: 245.34 Número EC: 223-625-2 PubChem CID: 6451622

GRADE & PURITY ≥99%(T)

Synonyms

SY111234 | 4-methylbenzenesulfonate;tetramethylazanium | tetramethylammonium tosylate | tetramethylammonium 4-methylbenzenesulfonate | D85922 | SCHEMBL216795 | Tetramethylammonium toluene-p-sulphonate | AKOS015840445 | MFCD00043173 | tetramethylazanium 4-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SY111234 | 4-methylbenzenesulfonate;tetramethylazanium | tetramethylammonium tosylate | tetramethylammonium 4-methylbenzenesulfonate | D85922 | SCHEMBL216795 | Tetramethylammonium toluene-p-sulphonate | AKOS015840445 | MFCD00043173 | tetramethylazanium 4-

Especificaciones y pureza

≥99%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(T)

Nombres e identificadores

• Pubchem Sid: 504764221
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764221
• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)C
• IUPAC Name: 4-methylbenzenesulfonate;tetramethylazanium
• InChIKey: FHVCZJGBXWNGIZ-UHFFFAOYSA-M
• INCHI: 1S/C7H8O3S.C4H12N/c1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4/h2-5H,1H3,(H,8,9,10);1-4H3/q;+1/p-1
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)C
• PubChem CID: 6451622
• Peso molecular: 245.34
• Reaxy-Rn: 5195510

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Methylbenzenesulfonates
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Tetraalkylammonium salts Sulfonyls Organosulfonic acids Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Not available
• Substituents: P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Toluene - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tetraalkylammonium salt - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- 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: 245.340 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 245.109 Da
• Monoisotopic Mass: 245.109 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 212.000
• 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: 2

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