2-Mercaptopyridine N-oxide - ≥99% , CAS No.1121-31-9

CAS: 1121-31-9 Cat. No.: M474482 Fórmula: C₅H₅NOS Peso molecular: 127.16 Beilstein Registry Number: 109936 Número CE: 214-329-4

GRADE & PURITY ≥99%

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

Room temperature

Visão geral

2-MercaptopyridineN-oxide forms complexes on reaction with palladium chloride. It inhibits NADH-fumarate reductase purified fromTrypanosoma cruzi. It is precursor toO-acyl thiohydroxamates. It ligates to metals to form biologically active complexes.Precursor toO-acyl thiohydroxamates. Ligates to metals to form biologically active complexes.2-MercaptopyridineN-oxide was used to investigate the mechanism of photodegradation of mercaptopyridine-N-oxide biocides. It was used in ratiometric fluorescence imaging of intracellular zinc ionsin mammalian cultures.

Specifications

Sinónimos

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-

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

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

SMILES isoméricas

C1=CC(=S)N(C=C1)O

WGK Alemanha

3

RTECS

UT8999000

Número UN

UN 3335

Grupo de embalagem

III

Peso molecular

127.16

Beilstein

109936

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
    • Classe Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 70.0 - 73.0 °C
• Peso molecular: 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

Perguntas frequentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1121-31-9, the molecular formula is C5H5NOS, and the molecular weight is 127.16 g/mol. InChIKey YBBJKCMMCRQZMA-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.