Tasisulam Sodium , CAS No.519055-63-1

CAS: 519055-63-1 Cat. No.: T1282263 PubChem CID: 23718384

Storage

Room temperature

Shipped In

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Specifications

Storage

Room temperature

Verschickt in

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Namen und Kennungen

Kanonisches Lächeln

C1=CC(=C(C=C1Cl)Cl)C(=O)[N-]S(=O)(=O)C2=CC=C(S2)Br.[Na+]

IUPAC Name

sodium;(5-bromothiophen-2-yl)sulfonyl-(2,4-dichlorobenzoyl)azanide

InChIKey

JCOHXVDKRMWUQP-UHFFFAOYSA-M

INCHI

1S/C11H6BrCl2NO3S2.Na/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14;/h1-5H,(H,15,16);/q;+1/p-1

Isomere SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)[N-]S(=O)(=O)C2=CC=C(S2)Br.[Na+]

Alternative CAS-Nummer

519055-63-1

PubChem CID

23718384

MeSH-Eintrag

LY 573636;LY-573636;LY573636;LY573636 sodium;N-((5-bromo-2-thienyl)sulfonyl)-2,4-dichlorobenzamide;tasisulam

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: 2,5-disubstituted thiophenes Aryl chlorides Aryl bromides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Organic metal halides Organooxygen compounds Organonitrogen compounds Organochlorides Organobromides Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3-dichlorobenzene - 2,5-disubstituted thiophene - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Organic metal halide - Organic alkali metal salt - Organoheterocyclic compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• Molekulargewicht: 437.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 434.817 Da
• Monoisotopic Mass: 434.817 Da
• Topological Polar Surface Area: 88.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 477.000
• 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

XLogP3

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 519055-63-1. InChIKey JCOHXVDKRMWUQP-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.