Collismycin A , CAS No.158792-24-6

CAS: 158792-24-6 Cat. No.: C1324469 PubChem CID: 135482271

Storage

Store at -20°C

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Specifications

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Namen und Kennungen

• Kanonisches Lächeln: COC1=CC(=NC(=C1SC)C=NO)C2=CC=CC=N2
• IUPAC Name: (NE)-N-[(4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridin-2-yl)methylidene]hydroxylamine
• InChIKey: NQGMIPUYCWIEAW-OVCLIPMQSA-N
• INCHI: 1S/C13H13N3O2S/c1-18-12-7-10(9-5-3-4-6-14-9)16-11(8-15-17)13(12)19-2/h3-8,17H,1-2H3/b15-8+
• Isomere SMILES: COC1=CC(=NC(=C1SC)/C=N/O)C2=CC=CC=N2
• Alternative CAS-Nummer: 158792-24-6
• PubChem CID: 135482271
• MeSH-Eintrag: collismycin A

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Alkylarylthioethers Alkyl aryl ethers Heteroaromatic compounds Aldoximes Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Aryl thioether - Alkyl aryl ether - Alkylarylthioether - Heteroaromatic compound - Aldoxime - Ether - Thioether - Sulfenyl compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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: 275.330 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 275.073 Da
• Monoisotopic Mass: 275.073 Da
• Topological Polar Surface Area: 92.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 304.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1