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

CAS: 1121-31-9 Cat. No.: M474482 Formule: C₅H₅NOS Poids moléculaire: 127.16 Beilstein Registry Number: 109936 Numéro 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

Vue d’ensemble

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

Synonymes

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-

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Pureté

≥99%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

RTECS

UT8999000

Numéro ONU

UN 3335

Groupe d'emballage

III

Poids moléculaire

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
• 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: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 70.0 - 73.0 °C
• Poids moléculaire: 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

Foire aux questions

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.