2-Mercaptonicotinic acid - ≥99% , CAS No.38521-46-9

CAS: 38521-46-9 Cat. No.: M106467 分子式: C₆H₅NO₂S 分子量: 155.17 Beilstein Registry Number: 119029 EC番号: 629-602-7

グレード＆純度 ≥99%

Synonyms

2-MERCAPTO-3-CARBOXYPYRIDINE | BB 0242382 | FT-0612767 | 2-Mercapto-3-pyridinecarboxylic Acid | MFCD01104135 | MLS000779168 | EU7D859ABZ | FS-2590 | MFCD00010102 | 2-Thionicotinic Acid | DTXSID9068110 | F14851 | Maybridge4_003766 | 3-AZA-2-THIOSALICYLIC A

Storage

Room temperature

Shipped In

Normal

概要

2-Mercaptopyridine-3-carboxylic acid may be used for the synthesis of poly[[diaquabis([μ]2-4,4 ′-bipyridyl)iron(II)] bis{2-[(3-carboxypyridin-2-yl)disulfanyl]nicotinate}] and 2-(2-carboxyethylthio)nicotinic acid.

仕様

同義語

2-MERCAPTO-3-CARBOXYPYRIDINE | BB 0242382 | FT-0612767 | 2-Mercapto-3-pyridinecarboxylic Acid | MFCD01104135 | MLS000779168 | EU7D859ABZ | FS-2590 | MFCD00010102 | 2-Thionicotinic Acid | DTXSID9068110 | F14851 | Maybridge4_003766 | 3-AZA-2-THIOSALICYLIC A

仕様と純度

≥99%

保管条件

Room temperature

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

488191038

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488191038

カノニカル・スマイル

C1=CNC(=S)C(=C1)C(=O)O

IUPAC Name

2-sulfanylidene-1H-pyridine-3-carboxylic acid

InChIKey

WYKHFQKONWMWQM-UHFFFAOYSA-N

INCHI

1S/C6H5NO2S/c8-6(9)4-2-1-3-7-5(4)10/h1-3H,(H,7,10)(H,8,9)

異性体SMILES

C1=CNC(=S)C(=C1)C(=O)O

WGKドイツ

3

分子量

155.17

Beilstein

119029

Reaxy-Rn

4663527

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4663527&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Dihydropyridinecarboxylic acids and derivatives Vinylogous amides Thiolactams Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - Dihydropyridine - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Thiolactam - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• External Descriptors: Not available

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

関連ターゲット（人間）

TYR Tclin Tyrosinase (717 Activities)

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HDAC8 Tclin Histone deacetylase 8 (4516 Activities)

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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AOX1 Tchem Aldehyde oxidase (429 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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関連ターゲット（非人間）

Cat Catalase (15 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 263-265°C
• 分子量: 155.180 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.004 Da
• Monoisotopic Mass: 155.004 Da
• Topological Polar Surface Area: 81.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 242.000
• 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

よくある質問

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.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 38521-46-9, the molecular formula is C6HNO2S, and the molecular weight is 155.17 g/mol. InChIKey WYKHFQKONWMWQM-UHFFFAOYSA-N.

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.