Bis[1-Hydroxypyridine-2(1H)-Thionato-S,O]Copper(II) - ≥97% , CAS No.14915-37-8

CAS: 14915-37-8 Cat. No.: B302941 Peso molecular: 315.85 Número EC: 238-984-0

GRADE & PURITY ≥97%

Synonyms

14915-37-8|Copper Omadine|Bis(1-hydroxy-1H-pyridine-2-thionato-O,S)copper|PYRITHIONE COPPER|copper;1-oxidopyridine-2-thione|CUPRIC OMADINE|NGZ4HTJ133|Copper bis(2-pyridinethiol-1-oxide)|Copper, bis[1-(hydroxy-.kappa.O)-2(1H)-pyridinethionato-.kappa.S2]-|C

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinónimos

14915-37-8 | Copper Omadine | Bis(1-hydroxy-1H-pyridine-2-thionato-O, S)copper | PYRITHIONE COPPER | copper;1-oxidopyridine-2-thione | CUPRIC OMADINE | NGZ4HTJ133 | Copper bis(2-pyridinethiol-1-oxide) | Copper, bis[1-(hydroxy-.kappa.O)-2(1H)-pyridinethionato-.kappa.S2]- | C

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504755770
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755770
• Sonrisas canónicas: C1=CC(=S)N(C=C1)[O-].C1=CC(=S)N(C=C1)[O-].[Cu+2]
• IUPAC Name: copper;1-oxidopyridine-2-thione
• InChIKey: XDUPUJNNHFTMQS-UHFFFAOYSA-N
• INCHI: 1S/2C5H4NOS.Cu/c2*7-6-4-2-1-3-5(6)8;/h2*1-4H;/q2*-1;+2
• Isómeros SMILES: C1=CC(=S)N(C=C1)[O-].C1=CC(=S)N(C=C1)[O-].[Cu+2]
• Peso molecular: 315.85
• Reaxy-Rn: 4028604
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4028604&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dihydropyridines
• Alternative Parents: Thiolactams Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Organic copper salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Dihydropyridine - Heteroaromatic compound - Thiolactam - Azacycle - Organic transition metal salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic copper salt - Organic salt - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dihydropyridines. These are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds.
• 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Punto de inflamación (°C): 107.3ºC
• Punto de ebullición (°C): 253.8ºC
• Peso molecular: 315.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 314.932 Da
• Monoisotopic Mass: 314.932 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 162.000
• 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: 3

XLogP3

Referencias

1. Zhao Man, Jin Zu-yi, Fan Wei-zhen, Qiang Peng-fei, Zheng Zhi-hua, Li Guo-feng, Hong Liang, Li Min.  (2025)  Zinc pyrithione functions as a small-molecule STING agonist to exert antitumor immunotherapy effects.  ACTA PHARMACOLOGICA SINICA,      [PMID:41107405] [10.1038/s41401-025-01674-9]