2-Mercaptopyridine N-Oxide - ≥95%(T) , CAS No.1121-31-9

CAS: 1121-31-9 Cat. No.: M158842 Formula: C₅H₅NOS Peso molecolare: 127.16 Beilstein Registry Number: 109936 Numero EC: 214-329-4

QUALITÀ & PUREZZA ≥95%(T)

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

Panoramica

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

Specifiche

Sinonimi

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-

Specifiche e purezza

≥95%(T)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%(T)

Nomi e identificatori

Pubchem Sid

504750492

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750492

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

RTECS

UT8999000

Numero UN

UN 3335

Gruppo di imballaggio

III

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in tris-hydrochloric acid.
• Sensibilità: light & Moisture & heat & air sensitive
• Punto di fusione (°C): 70.0 - 73.0 °C
• Peso molecolare: 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

Domande frequenti

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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.