6-Mercaptonicotinic acid

Basic Information

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CAS Number

92823-43-3

Molecular Formula

C6H5NO2S

Molecular Weight

155.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

260-262 °C (dec.)

Boiling Point

259.9°C at 760 mmHg

Density

1.49

Flash Point

111°C

Refractive Index

1.694

SMILES

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C1=CC(=S)NC=C1C(=O)O

InChI

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

InChIKey

JWWGTYCXARQFOT-UHFFFAOYSA-N

LogP

1.0684999999999998

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

242

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

6-MERCAPTONICOTINIC ACID
1,6-dihydro-6-thioxonicotinic acid
6-Mercapto-3-pyridine carboxlic acid
6-Mercaptonicotinic
6-mercapto-3-pyridinecarboxylic acid
6-Mercaptopyridine-3-carboxylic acid
6-mercaptonicotinicacidtech.
6-Mercaptopyridine-3-carboxylic acid,6-Mercaptonicotinic acid
6-Mercapto-3-pyridinecarboxylic acid (ACI)
CHEMBL2228304
6-Mercaptonicotinicacid
DTXSID50170101
N12019
1,6-Dihydro-6-thioxonicotinic acid
6-Mercapto-3-pyridinecarboxylic acid
CS-0128653
3-Pyridinecarboxylic acid, 6-mercapto-
2-mercapto-5-pyridinecarboxylic acid
3-Pyridinecarboxylicacid,1,6-dihydro-6-thioxo-
BDBM50486233
6-Mercaptonicotinic acid
6-sulfanylidene-1,6-dihydropyridine-3-carboxylic acid
AKOS015891706
17624-07-6
DB-003560
EN300-26855
DA-09223
NS00025796
6-sulfanylidene-1H-pyridine-3-carboxylic acid
MFCD00192261
SCHEMBL796849

MDL Number

MFCD00192261

FAQ

What are the physical and chemical properties of 6-Mercaptonicotinic acid (CAS: 92823-43-3)?

6-Mercaptonicotinic acid is a crystalline solid with a molecular weight of approximately 162.19 g/mol. It is slightly soluble in water and has a pKa of about 3.75. The acid is reactive towards nucleophiles and can undergo redox reactions.

How is 6-Mercaptonicotinic acid (CAS: 92823-43-3) typically synthesized?

6-Mercaptonicotinic acid can be synthesized by reacting nicotinic acid with sodium mercaptacetate. This reaction typically occurs in aqueous media with a yield of around 75%. The process may require a mild base to facilitate the reaction.

What industries use 6-Mercaptonicotinic acid (CAS: 92823-43-3)?

6-Mercaptonicotinic acid is used in the pharmaceutical industry for the synthesis of certain medications. It is also used in the production of sensors due to its reductive properties and in some polymer applications for its acid functionality.

What precautions should be taken when handling 6-Mercaptonicotinic acid (CAS: 92823-43-3)?

When handling 6-Mercaptonicotinic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate procedures and the material safety data sheet (MSDS) should be consulted for detailed safety information.