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

CAS: 14915-37-8 Cat. No.: B302941 Molecular Weight: 315.85 EC Number: 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

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

Specifications & Purity

≥97%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504755770
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755770
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=S)N(C=C1)[O-].C1=CC(=S)N(C=C1)[O-].[Cu+2]
• Molecular Weight: 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
    • Class Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Flash Point(°C): 107.3ºC
• Boil Point(°C): 253.8ºC
• Molecular Weight: 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

References

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]