2-Mercaptonicotinic acid

Base Information

• Chemical Name: 2-Mercaptonicotinic acid
• CAS No.: 38521-46-9
• Molecular Formula: C6H5NO2S
• Molecular Weight: 155.177
• Hs Code.: 29309090
• European Community (EC) Number: 629-602-7
• UNII: EU7D859ABZ
• DSSTox Substance ID: DTXSID9068110
• Nikkaji Number: J795.467K
• Wikidata: Q27277372
• ChEMBL ID: CHEMBL1521174
• Mol file: 38521-46-9.mol

Synonyms:2-mercaptonicotinic acid

Chemical Property of 2-Mercaptonicotinic acid

Chemical Property:

• Appearance/Colour: yellow powder
• Vapor Pressure: 0.00727mmHg at 25°C
• Melting Point: 263-265 °C(lit.)
• Refractive Index: 1.5380 (estimate)
• Boiling Point: 295.3 °C at 760 mmHg
• PKA: 1.98±0.20(Predicted)
• Flash Point: 132.4 °C
• PSA: 88.99000
• Density: 1.49 g/cm³
• LogP: 1.06850
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.00409958
• Heavy Atom Count: 10
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

2-Mercaptonicotinic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CNC(=S)C(=C1)C(=O)O
• General Description: 2-Mercaptonicotinic acid (HnicSH) is an ambidentate ligand capable of coordinating with metal centers through either its sulfur or nitrogen atoms, forming complexes with diverse structural modes such as monodentate (S) or chelating (N,S). It has been utilized in the synthesis of palladium(II), platinum(II), rhenium(III), and molybdenum(VI/V) complexes, demonstrating versatility in coordination chemistry. Notably, its molybdenum complex exhibits catalytic activity in oxygen atom transfer reactions, such as the oxidation of benzoin and triphenylphosphine using dimethyl sulfoxide (dmso).

Technology Process of 2-Mercaptonicotinic acid

There total 4 articles about 2-Mercaptonicotinic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

2-(1-adamantylthio)nicotinonitrile → 1-chloroadamantane (935-56-8) + 1,2-dihydro-2-thioxo-3-pyridine carboxylic scid (38521-46-9)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

DOI:10.1002/jhet.5570220332

Reference yield: 92.0%

2-(1-adamantylthio)nicotinic acid → 1-chloroadamantane (935-56-8) + 1,2-dihydro-2-thioxo-3-pyridine carboxylic scid (38521-46-9)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

DOI:10.1002/jhet.5570220332

Reference yield: 91.0%

N-acetyl-2-(1-adamantylthio)nicotinamide → 1-chloroadamantane (935-56-8) + 1,2-dihydro-2-thioxo-3-pyridine carboxylic scid (38521-46-9)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

DOI:10.1002/jhet.5570220332

Downstream raw materials:

2-<(3-chlorophenyl)thio>nicotinic acid

2-(2-mercapto-3-pyridyl)benzimidazole

3H-1,2-dithiolo<3,4-b>pyridine-3-thione

2-benzylsulfanylnicotinic acid

Refernces

Coordination modes of 2-mercaptonicotinic acid: Synthesis and crystal structures of palladium(II), platinum(II), rhenium(III) and molybdenum(VI) complexes

10.1039/b206101e

The study focuses on the synthesis and crystal structures of complexes involving 2-mercaptonicotinic acid (HnicSH) with palladium(II), platinum(II), rhenium(III), and molybdenum(VI) and (V). The chemicals used include 2-mercaptonicotinic acid, Pd(II), Pt(II), Re(III), Mo(VI), and Mo(V) salts, as well as ligands like PPh3 (triphenylphosphine) and bipy (2,2'-bipyridine). These chemicals serve to form new complexes, which are characterized by vibrational spectroscopy and NMR. The study aims to understand the coordination modes of the ambidentate ligand HnicSH, which can involve either the sulfur or nitrogen atoms in coordination with the metal centers. The complexes were found to exhibit different coordination modes, such as monodentate (S) and chelating (N,S), and were further investigated for their potential in oxygen atom transfer reactions, with the molybdenum complex showing catalytic activity towards the oxidation of benzoin and PPh3 with dmso.

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 38521-46-9 2-Mercaptonicotinic acid

Send

Send

Metric Ton KG G Pound L ML

Send

Send