2-(Phénylsulfonyl)pyridine - ≥95% , CAS No.24244-60-8

CAS: 24244-60-8 Cat. No.: P183089 Formule: C₁₁H₉NO₂S Poids moléculaire: 219.3 Numéro CE: 691-255-2 PubChem CID: 289829

GRADE & PURITY ≥95%

Storage

Température ambiante

Shipped In

Normal

Specifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Température ambiante

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488189303

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189303

Sourires canoniques

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=N2

IUPAC Name

2-(benzenesulfonyl)pyridine

InChIKey

MPTVNPMFAZVTJG-UHFFFAOYSA-N

INCHI

1S/C11H9NO2S/c13-15(14,10-6-2-1-3-7-10)11-8-4-5-9-12-11/h1-9H

Isomères SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=N2

PubChem CID

289829

Poids moléculaire

219.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Pyridines and derivatives Sulfones Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonyl group - Pyridine - Heteroaromatic compound - Sulfonyl - Sulfone - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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

Propriétés chimiques et physiques

• Poids moléculaire: 219.260 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.035 Da
• Monoisotopic Mass: 219.035 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 288.000
• 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