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

CAS: 1121-31-9 Cat. No.: M474482 Summenformel: C5H5NOS Molekulargewicht: 127.16 Beilstein Registry Number: 109936 EG-Nummer: 214-329-4
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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
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Size
Deutschland (EU)
USA*
Price
Qty
5g
M474482-5g
Auf Bestellung · 8–12 Wochen

47,64€

71,94€
Speichern 24,30 € (33.78%)
25g
M474482-25g
Auf Bestellung · 8–12 Wochen

102,31€

153,50€
Speichern 51,20 € (33.35%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

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

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
≥99%
Storage
Room temperature
Reinheit
≥99%
Namen und Kennungen
Kanonisches LächelnC1=CC(=S)N(C=C1)O
IUPAC Name1-hydroxypyridine-2-thione
InChIKeyYBBJKCMMCRQZMA-UHFFFAOYSA-N
INCHI1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H
Isomere SMILES C1=CC(=S)N(C=C1)O
WGK Deutschland 3
RTECS UT8999000
UN-Nummer UN 3335
Verpackungsgruppe III
Molekulargewicht 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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
KlassePyridines and derivatives
SubclassHydropyridines
Intermediate Tree Nodes Not available
Direct ParentDihydropyridines
Alternative Parents Thiolactams  Heteroaromatic compounds  Azacyclic compounds  Organosulfur compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Schmelzpunkt (°C)70.0 - 73.0 °C
Molekulargewicht127.170 g/mol
XLogP30.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass127.009 Da
Monoisotopic Mass127.009 Da
Topological Polar Surface Area55.600 Ų
Heavy Atom Count8
Formal Charge0
Complexity162.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
FAQs und Artikel
Citations of This Product
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]
Lösungsrechner
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Häufig gestellte Fragen

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.

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