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

CAS: 38521-46-9 Cat. No.: M106467 Molecular Weight: 155.17 Beilstein Registry Number: 119029 EC Number: 629-602-7

GRADE & PURITY ≥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

Overview

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.

Specifications

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

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488191038
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191038
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CNC(=S)C(=C1)C(=O)O
• WGK Germany: 3
• Molecular Weight: 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
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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HDAC8 Tclin Histone deacetylase 8 (4516 Activities)

Discover Target: HDAC8

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

Discover Target: PLK1

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: GLP1R

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AOX1 Tchem Aldehyde oxidase (429 Activities)

Discover Target: AOX1

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

Discover Target: KDM4A

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

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: KDM4E

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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

Discover Target: EYA2

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

Discover Target: BAZ2B

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Associated Targets(non-human)

Cat Catalase (15 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

Discover Target: fba

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 263-265°C
• Molecular Weight: 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

References

1. Qin Zhiguo, Zhang Jie, Chi Huibo, Cao Feng.  (2015)  Organic–inorganic hybrid nanocomposites based on chitosan derivatives and layered double hydroxides with intercalated phacolysin as ocular delivery system.  JOURNAL OF NANOPARTICLE RESEARCH,  17  (12): (1-15).  [PMID:] [10.1007/s11051-015-3275-z]

2. Yu Chen, Huan Chen, Haihua Wang, Xia Xin, Wenbing Kang.  (2025)  Development of antibacterial hydrogels with fluoropolymers and silver nanoclusters.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.136588]

3. Feiyu Tang, BinWang, Jinpeng Li, Jun Xu, Jinsong Zeng, Wenhua Gao, Kefu Chen.  (2024)  Reactive template method for synthesis of water-soluble fluorescent silver nanoclusters supported on the surface of cellulose nanofibers.  CARBOHYDRATE POLYMERS,      [PMID:39843071] [10.1016/j.carbpol.2024.123166]