Thenium Closylate , CAS No.4304-40-9

CAS: 4304-40-9 Cat. No.: T356799 Summenformel: C₁₅H₂₀NOS・C₆H₄ClO₃S Molekulargewicht: 454 PubChem CID: 498092

Synonyms

Ammonium, dimethyl(2-phenoxyethyl)-2-thenyl-, salt with p-chlorobenzenesulfonic acid (1:1) | Dimethyl(2-phenoxyethyl)-2-thenylammonium closylate | EINECS 224-318-6 | MFCD13184820 | Closilate de thenium [INN-French] | 2-Thiophenemethanaminium,N-dimethyl-N-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Thenium Closylate is active against parasitic nematodes, more specifically those of the stomach and intestines.

Spezifikationen

Synonyme

Ammonium, dimethyl(2-phenoxyethyl)-2-thenyl-, salt with p-chlorobenzenesulfonic acid (1:1) | Dimethyl(2-phenoxyethyl)-2-thenylammonium closylate | EINECS 224-318-6 | MFCD13184820 | Closilate de thenium [INN-French] | 2-Thiophenemethanaminium,N-dimethyl-N-

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Kanonisches Lächeln

C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

IUPAC Name

4-chlorobenzenesulfonate;dimethyl-(2-phenoxyethyl)-(thiophen-2-ylmethyl)azanium

InChIKey

QMAHSUSUOMSSBK-UHFFFAOYSA-M

INCHI

1S/C15H20NOS.C6H5ClO3S/c1-16(2,13-15-9-6-12-18-15)10-11-17-14-7-4-3-5-8-14;7-5-1-3-6(4-2-5)11(8,9)10/h3-9,12H,10-11,13H2,1-2H3;1-4H,(H,8,9,10)/q+1;/p-1

Isomere SMILES

C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2.C1=CC(=CC=C1S(=O)(=O)[O-])Cl

PubChem CID

498092

Molekulargewicht

454

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Organochlorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organosulfur compound - Organochloride - Organohalogen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Water at 20°C and 0.6%w/v
• Schmelzpunkt (°C): 159-160°C (lit.)
• Molekulargewicht: 454.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 453.084 Da
• Monoisotopic Mass: 453.084 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 436.000
• 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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