Pyrithione - Moligand™, ≥96% , CAS No.1121-30-8

CAS: 1121-30-8 Cat. No.: P649027 Summenformel: C₅H₅NOS Molekulargewicht: 127.16 EG-Nummer: 214-329-4,214-328-9

GRADE & PURITY Moligand™, ≥96%

Synonyms

2-Mercaptopyridine monoxide | cid_1570 | 2-SULFANYLPYRIDIN-1-IUM-1-OLATE | NCGC00246995-01 | NSC179790 | NSC-179790 | Pyridine-2-thiol-1-oxide | 1-Hydroxy-2-pyridinethione | 2-mercaptopyridine n-oxide | BEW | BRN 0109936 | NSC 179790 | 2-Pyridinethiol, 1-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Pyrithione, a Transition metal complexe, is a zinc ionophore that causes increased zinc levels within mammalian cells. Pyrithione has potent bactericidal and anti-fungal activity.

Specifications

Synonyme

2-Mercaptopyridine monoxide | cid_1570 | 2-SULFANYLPYRIDIN-1-IUM-1-OLATE | NCGC00246995-01 | NSC179790 | NSC-179790 | Pyridine-2-thiol-1-oxide | 1-Hydroxy-2-pyridinethione | 2-mercaptopyridine n-oxide | BEW | BRN 0109936 | NSC 179790 | 2-Pyridinethiol, 1-

Spezifikationen & Reinheit

Moligand™, ≥96%

Biochemische und physiologische Mechanismen

Pyrithione, a Transition metal complexe, is a zinc ionophore that causes increased zinc levels within mammalian cells. Pyrithione has potent bactericidal and anti-fungal activity.

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Note

Moligand™

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 528770780
• Kanonisches Lächeln: C1=CC(=S)N(C=C1)O
• IUPAC Name: 1-hydroxypyridine-2-thione
• InChIKey: YBBJKCMMCRQZMA-UHFFFAOYSA-N
• INCHI: 1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H
• Isomere SMILES: C1=CC(=S)N(C=C1)O
• Alternative CAS-Nummer: 1121-30-8,1121-31-9,15922-78-8 (hydrochloride salt)
• NSC-Nummer: 179790
• MeSH-Eintrag: 1-hydroxypyridine-2-thione;2-HPT cpd;2-mercaptopyridine-N-oxide;2-pyridinethiol 1-oxide;67Ga-MPO;68Ga-mercaptopyridine-N-oxide;indium 111-2-mercaptopyridine-1-oxide;N-hydroxypyridine-2-thione;Omadine;pyridine-2-thiol N-oxide;pyrithione;pyrithione barium (
• Molekulargewicht: 127.16
• Reaxy-Rn: 109936
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109936&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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 oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Heteroaromatic compound - Thiolactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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: monohydroxypyridine - pyridinethione

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

• Löslichkeit: DMSO : 125 mg/mL (983.01 mM; Need ultrasonic)
• Molekulargewicht: 127.170 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 127.009 Da
• Monoisotopic Mass: 127.009 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 8
• 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: 1

Referenzen

1. Ya-Wei Geng, Tong Guo, Xiao-Qin Wang, Tian Han.  (2025)  Enhanced Magnetocaloric Effect and Single-Molecule Magnet Behavior in a Series of Sulfur-Containing Ligand-Based Ln9 Clusters (Ln = Gd, Tb, and Dy).  Magnetochemistry,  11  (9): (70).  [PMID:] [10.3390/magnetochemistry11090070]