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

COA

Grade & Purity:

≥99%

Cas Number: 1121-31-9
Molecular Weight: 127.16
Beilstein Registry Number: 109936
MDL number: MFCD00006196
PubChem CID: 1570

In stock

Item Number

M474482

Grouped product items
SKU	Size	Availability	Price	Qty
M474482-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$264.90
M474482-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$886.90

Basic Description

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-
Specifications & Purity	≥99%
Product Description	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.

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 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
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

Names and Identifiers

IUPAC Name	1-hydroxypyridine-2-thione
INCHI	InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H
InChIKey	YBBJKCMMCRQZMA-UHFFFAOYSA-N
Smiles	C1=CC(=S)N(C=C1)O
Isomeric SMILES	C1=CC(=S)N(C=C1)O
WGK Germany	3
RTECS	UT8999000
Molecular Weight	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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	70.0 - 73.0 °C
Molecular Weight	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 Å²
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

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