Description

2-(Methylthio)benzoic acid (CAS No. 3724-10-5) is a high-purity organic compound with the molecular formula C₈H₈O₂S, widely utilized in pharmaceutical and chemical research. This aromatic carboxylic acid features a methylthio substituent at the ortho position, enhancing its reactivity and utility in synthetic applications. With a purity of 97%, it is ideal for use as an intermediate in the synthesis of bioactive molecules, agrochemicals, and specialty chemicals. Its well-characterized structure and consistent quality make it a reliable choice for researchers requiring precise reagents for complex organic transformations. Packaged under inert conditions to ensure stability, this product is supplied with comprehensive analytical data including NMR, HPLC, and MS for verification.

Properties

• CAS Number: 3724-10-5
• Complexity: 147
• IUPAC Name: 2-methylsulfanylbenzoic acid
• InChI: InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
• InChI Key: LWJQGKJCZOGGPJ-UHFFFAOYSA-N
• Exact Mass: 168.02450067
• Molecular Formula: C8H8O2S
• Molecular Weight: 168.21
• SMILES: CSC1=CC=CC=C1C(=O)O
• Topological: 62.6
• Monoisotopic Mass: 168.02450067
• Synonyms: 2-(Methylthio)benzoic acid, BENZOIC ACID, o-(METHYLTHIO)-, NSC 218090, NSC 104019, NSC 145347, NSC 151478, NSC 221934, BRN 0972385, DTXSID70190720, 4-10-00-00273 (Beilstein Handbook Reference), DTXCID10113211, 630-003-8, inchi=1/c8h8o2s/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5h,1h3,(h,9,10, lwjqgkjczoggpj-uhfffaoysa-n, 3724-10-5, 2-(Methylsulfanyl)benzoic acid, Benzoic acid, 2-(methylthio)-, 2-methylsulfanylbenzoic acid, o-(Methylthio)benzoic acid, 2-Methylmercaptobenzoic acid, 2-Carboxyphenyl methyl sulfide, MFCD00029934, Acide methyl-S-2-benzoique, 2-methylthiobenzoic acid, 2-(Methylthio)benzoicAcid, 2-(methylmercapto)benzoic acid, carboxythioanisole, Acide methyl-S-2-benzoique [French], Enamine_005727, SCHEMBL709788, SCHEMBL5330637, SCHEMBL26622207, 2-(Methylsulfanyl)benzoic acid #, HMS1410E07, 2-(Methylthio)benzoic acid, 97%, ALBB-023339, BBL100116, FD7329, NSC104019, NSC145347, NSC151478, NSC218090, NSC221934, SBB071591, STL511346, AKOS000264449, CS-W017800, FS-1045, NSC-104019, NSC-145347, NSC-151478, NSC-218090, NSC-221934, IDI1_007962, NCGC00337580-01, SY048265, DB-019521, M1953, ST45026577, EN300-17330, AB01328835-02, AA-516/30041011, Z56921447, F2147-1697

2-(Methylthio)benzoic acid is primarily employed as a key intermediate in the synthesis of pharmaceuticals and agrochemicals. Its reactive carboxyl and methylthio groups facilitate its use in coupling reactions, esterifications, and as a building block for heterocyclic compounds. Researchers leverage its structural properties to develop novel compounds with potential biological activity. It is also used in material science for modifying polymer properties and in catalysis studies.

Safety and Hazards

GHS Hazard Statements

• H315 (17.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (17.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (15.6%): 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 (17.8%)
• Eye Irrit. 2 (17.8%)
• STOT SE 3 (15.6%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.