Description

5-Methyl-1,2-thiazole-3-carboxylic acid (CAS No. 110632-59-2) is a high-purity heterocyclic carboxylic acid with the molecular formula C₅H₅NO₂S. This compound features a thiazole ring substituted with a methyl group at the 5-position and a carboxylic acid moiety at the 3-position, making it a versatile building block for pharmaceutical, agrochemical, and material science research. Its molecular weight is 143.16 g/mol, and it exhibits excellent reactivity for further derivatization, such as amidation or esterification. Available in ≥95% purity (HPLC), this product is rigorously tested for consistency and stability, ensuring reliable performance in synthetic applications. Suitable for use in organic synthesis, medicinal chemistry, and as a ligand or intermediate in catalysis. Packaged under inert gas to prevent degradation and supplied with detailed analytical data (NMR, MS, HPLC).

Properties

• CAS Number: 110632-59-2
• Complexity: 128
• IUPAC Name: 5-methylisothiazole-3-carboxylic acid
• InChI: InChI=1S/C5H5NO2S/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
• InChI Key: QRHWGPSYZLZEMB-UHFFFAOYSA-N
• Exact Mass: 143.00409958
• Molecular Formula: C5H5NO2S
• Molecular Weight: 143.17
• SMILES: CC1=CC(=NS1)C(=O)O
• Topological: 78.4
• Monoisotopic Mass: 143.00409958
• Synonyms: 110632-59-2, 5-methyl-1,2-thiazole-3-carboxylic acid, DTXSID00717681, DTXCID00668427, 828-576-6, 5-methylisothiazole-3-carboxylic acid, 5-Methyl-isothiazole-3-carboxylic acid, MFCD19229900, SCHEMBL26103133, KEA63259, 5-methylisothiazole-3-carboxylicacid, AKOS006380613, AT21128, SB30663, BS-14417, CS-0188015, EN300-108424

Application

5-Methyl-1,2-thiazole-3-carboxylic acid is primarily used as a key intermediate in the synthesis of bioactive molecules, including potential drug candidates targeting inflammation or infectious diseases. Its thiazole core is valuable in designing kinase inhibitors and antimicrobial agents due to its metal-chelating properties. Researchers also employ it in the development of fluorescent probes or coordination polymers for material science applications. The carboxylic acid group enables facile conjugation to peptides or other scaffolds for combinatorial chemistry.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (50%)

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