Description

2-(Methylthio)aniline (CAS No. 2987-53-3) is a high-purity organic compound with the molecular formula C₇H₉NS, widely utilized in pharmaceutical and agrochemical research. This aromatic amine, also known by its IUPAC name 2-methylsulfanylaniline, features a methylthio (-SCH₃) group ortho to the aniline nitrogen, enhancing its reactivity in electrophilic substitution and coupling reactions. With a molecular weight of 139.22 g/mol, it is a versatile intermediate for synthesizing dyes, ligands, and bioactive molecules. Our product is rigorously tested for purity (≥98% by GC) and stability, supplied in sealed amber vials under inert gas to prevent degradation. Ideal for cross-coupling reactions (e.g., Buchwald-Hartwig) and heterocycle synthesis, it is a must-have for medicinal chemistry and material science laboratories.

Properties

• CAS Number: 2987-53-3
• Complexity: 85
• IUPAC Name: 2-methylsulfanylaniline
• InChI: InChI=1S/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3
• InChI Key: WBRPQQSADOCKCH-UHFFFAOYSA-N
• Exact Mass: 139.04557046
• Molecular Formula: C7H9NS
• Molecular Weight: 139.22
• SMILES: CSC1=CC=CC=C1N
• Topological: 51.3
• Monoisotopic Mass: 139.04557046
• Synonyms: 2-(Methylthio)aniline, 2987-53-3, EINECS 221-055-9, DTXSID80183986, NSC 41588, NSC 62853, DTXCID20106477, 221-055-9, 2-Aminothioanisole, 2-methylsulfanylaniline, 2-(Methylmercapto)aniline, 2-Methylmercaptoaniline, Benzenamine, 2-(methylthio)-, 2-(Methylsulfanyl)aniline, o-Thioanisidine, o-(methylthio)aniline, 2-(methylthio)benzenamine, NSC-41588, NSC-62853, o-AMINOTHIOANISOLE, NSC-9425, 2-(Methylsulphanyl)aniline, 2-methylthioaniline, MFCD00007708, 2-methylsulanylaniline, aniline, 2-methylthio-, o-(Methylmercapto)aniline, FA2L2YY5KZ, 2-Methylsulfanyl-phenylamine, 2-(methyl mercapto) aniline, 2-(Methylsulfanyl)aniline #, SCHEMBL111389, 2-(Methylthio)aniline, 97%, SCHEMBL5609051, SCHEMBL6754033, SCHEMBL7074558, (2-methylsulfanyl-phenyl)-amine, SCHEMBL10640406, WBRPQQSADOCKCH-UHFFFAOYSA-, CHEBI:194955, ALBB-033047, NSC41588, NSC62853, STR00572, STL169557, AKOS000120410, DB-047666, CS-0072892, M1159, NS00028796, EN300-20443, A10290, F0787-0008, Z104478220, InChI=1/C7H9NS/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3

Application

2-(Methylthio)aniline serves as a key building block in the synthesis of sulfur-containing heterocycles, such as benzothiazoles, used in fluorescent probes and drug discovery. It is employed in palladium-catalyzed C–N bond formations to create pharmacologically active aniline derivatives. Researchers also utilize it to develop agrochemicals, leveraging its thioether moiety for pesticidal activity modulation.

Safety and Hazards

GHS Hazard Statements

• H301 (85.7%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (10.2%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (14.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H315 (20.4%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (20.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (10.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (10.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (85.7%)
• Acute Tox. 3 (14.3%)
• Skin Irrit. 2 (20.4%)
• Eye Irrit. 2 (20.4%)
• STOT SE 3 (10.2%)

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