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Tetramethylammonium p-Toluenesulfonate - >99.0%(T), high purity , CAS No.3983-91-3
Basic Description
Synonyms
SY111234 | 4-methylbenzenesulfonate;tetramethylazanium | tetramethylammonium tosylate | tetramethylammonium 4-methylbenzenesulfonate | D85922 | CS-0153046 | SCHEMBL216795 | Tetramethylammonium toluene-p-sulphonate | AKOS015840445 | MFCD00043173 | tetramet
Specifications & Purity
≥99%(T)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
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
Description
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.
Names and Identifiers
Pubchem Sid
504764221
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504764221
IUPAC Name
4-methylbenzenesulfonate;tetramethylazanium
INCHI
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
InChIKey
FHVCZJGBXWNGIZ-UHFFFAOYSA-M
Smiles
CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)C
Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)C
PubChem CID
6451622
Molecular Weight
245.34
Reaxy-Rn
5195510
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
245.340 g/mol
XLogP3
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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J2312179