2-Bromo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine - ≥98% , CAS No.1201186-54-0

CAS: 1201186-54-0 Cat. No.: B190029 Molecular Weight: 352.21

GRADE & PURITY ≥98%

Synonyms

2-BROMO-5-(P-TOLYLSULFONYL)-5H-PYRROLO[2,3-B]PYRAZINE | MFCD12964053 | AKOS015919870 | N-Tosyl-5-bromo-4,7-diazaindole | C13H10BrN3O2S | 1201186-54-0 | AMY13923 | SY046042 | FT-0712655 | AC-31350 | 2-Bromo-5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyr

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

2-BROMO-5-(P-TOLYLSULFONYL)-5H-PYRROLO[2, 3-B]PYRAZINE | MFCD12964053 | AKOS015919870 | N-Tosyl-5-bromo-4, 7-diazaindole | C13H10BrN3O2S | 1201186-54-0 | AMY13923 | SY046042 | FT-0712655 | AC-31350 | 2-Bromo-5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2, 3-b]pyr

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504771084
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771084
• Canonical Smiles: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=NC(=CN=C32)Br
• IUPAC Name: 2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
• InChIKey: UMZKBENCNNDLRF-UHFFFAOYSA-N
• INCHI: 1S/C13H10BrN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-13(17)15-8-12(14)16-11/h2-8H,1H3
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=NC(=CN=C32)Br
• Molecular Weight: 352.21
• Reaxy-Rn: 19735389
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19735389&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Tosyl compounds Pyrrolopyrazines Benzenesulfonyl compounds Substituted pyrroles Pyrazines Aryl bromides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Pyrrolopyrazine - Toluene - Aryl bromide - Aryl halide - Pyrazine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organobromide - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-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

Chemical and Physical Properties

• Sensitivity: Light sensitive;heat sensitive
• Molecular Weight: 352.210 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 350.968 Da
• Monoisotopic Mass: 350.968 Da
• Topological Polar Surface Area: 73.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 445.000
• 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