3-(2-Bromoacetyl)-5-chlorothiophene-2-sulfonamide - ≥95% , CAS No.160982-11-6

CAS: 160982-11-6 Cat. No.: C710319 Molecular Weight: 318.60 EC Number: 605-241-0

GRADE & PURITY ≥95%

Synonyms

3-(2-Bromoacetyl)-5-chloro-2-thiophenesulfonamide | 3-(Bromoacetyl)-5-chloro-2-thiophenesulfonamide | 3-(Bromoacetyl)-5-chloro-2-thiophenesulfonamide | 3-(2-Bromoacetyl)-5-chloro-2-thiophenesulfomide | 3-(2-BroMoacetyl)-5-chlorothiophene-2-sulfonaMide | 2

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3-(2-Bromoacetyl)-5-chloro-2-thiophenesulfonamide | 3-(Bromoacetyl)-5-chloro-2-thiophenesulfonamide | 3-(Bromoacetyl)-5-chloro-2-thiophenesulfonamide | 3-(2-Bromoacetyl)-5-chloro-2-thiophenesulfomide | 3-(2-BroMoacetyl)-5-chlorothiophene-2-sulfonaMide | 2

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 528758107
• Canonical Smiles: C1=C(SC(=C1C(=O)CBr)S(=O)(=O)N)Cl
• IUPAC Name: 3-(2-bromoacetyl)-5-chlorothiophene-2-sulfonamide
• InChIKey: OZESFFKYLOCAOV-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrClNO3S2/c7-2-4(10)3-1-5(8)13-6(3)14(9,11)12/h1H,2H2,(H2,9,11,12)
• Isomeric SMILES: C1=C(SC(=C1C(=O)CBr)S(=O)(=O)N)Cl
• Molecular Weight: 318.60

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: 2,3,5-trisubstituted thiophenes Organosulfonamides Aryl chlorides Heteroaromatic compounds Aminosulfonyl compounds Alpha-haloketones Organochlorides Organobromides Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,3,5-trisubstituted thiophene - Aryl alkyl ketone - Aryl chloride - Aryl halide - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Aminosulfonyl compound - Alpha-haloketone - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organochloride - Alkyl bromide - Alkyl halide - Organohalogen compound - Organobromide - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
• 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

• Sensitivity: light sensitive
• Molecular Weight: 318.600 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 316.858 Da
• Monoisotopic Mass: 316.858 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 328.000
• 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