Description

4-(Methylthio)benzaldehyde (CAS No. 3446-89-7) is a high-purity aromatic aldehyde with the molecular formula C₈H₈OS. This compound, also known by its IUPAC name 4-methylsulfanylbenzaldehyde, features a methylthio group (-SCH₃) para-substituted on a benzaldehyde core, making it a valuable intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 152.21 g/mol, it is a pale yellow to colorless liquid at room temperature, offering excellent solubility in common organic solvents such as ethanol, acetone, and dichloromethane.

Our 4-(Methylthio)benzaldehyde is rigorously tested for purity (typically ≥98% by GC) and consistency, ensuring optimal performance in demanding applications. It is packaged under inert conditions to prevent oxidation and degradation, guaranteeing long-term stability. Ideal for researchers in medicinal chemistry, agrochemical development, and material science, this compound serves as a versatile building block for the synthesis of heterocycles, Schiff bases, and other functionalized aromatic systems.

Properties

• CAS Number: 3446-89-7
• Complexity: 106
• IUPAC Name: 4-methylsulfanylbenzaldehyde
• InChI: InChI=1S/C8H8OS/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3
• InChI Key: QRVYABWJVXXOTN-UHFFFAOYSA-N
• Exact Mass: 152.02958605
• Molecular Formula: C8H8OS
• Molecular Weight: 152.22
• SMILES: CSC1=CC=C(C=C1)C=O
• Topological: 42.4
• Monoisotopic Mass: 152.02958605
• Synonyms: 4-(Methylthio)benzaldehyde, 4-methylsulfanylbenzaldehyde, Benzaldehyde, 4-(methylthio)-, p-Methylthiobenzaldehyde, 4-(Methylmercapto)benzaldehyde, p-Methylmercaptobenzaldehyde, UNII-1TVQ11BIY8, EINECS 222-365-7, 1TVQ11BIY8, DTXSID0033047, 4-methanethiobenzaldehyde, DTXCID8013047, QRVYABWJVXXOTN-UHFFFAOYSA-, 4-METHANESULFANYLBENZALDEHYDE, BENZALDEHYDE, P-(METHYLTHIO)-, METHYL 4-FORMYLPHENYL THIOETHER, 222-365-7, inchi=1/c8h8os/c1-10-8-4-2-7(6-9)3-5-8/h2-6h,1h3, qrvyabwjvxxotn-uhfffaoysa-n, 3446-89-7, p-(Methylthio)benzaldehyde, 4-Methylthio benzaldehyde, 4-(Methylsulfanyl)benzaldehyde, 4-Methylmercaptobenzaldehyde, MFCD00006948, 4-Aldehyde thioanisole, 4-Formylthioanisole, p-methylsulfanylbenzaldehyde, 4-(Methylthio)-benzaldehyde, 4-methylsulfanyl-benzaldehyde, MLS002174249, SCHEMBL195686, SCHEMBL195687, CHEMBL1556223, 4-(Methylsulfanyl)benzaldehyde #, 4-(Methylthio)benzaldehyde, 95%, HMS3039L09, STR03117, Tox21_200004, SBB040212, STL194070, AKOS000119424, CS-W016298, FM36588, PS-3197, s11974, NCGC00090956-01, NCGC00090956-02, NCGC00257558-01, AC-10936, SMR001261424, ST088222, CAS-3446-89-7, DB-048628, M0739, NS00022077, EN300-20437, BRD-K37073910-001-04-0, Q27252879, F2190-0579, Z104478194

Application

4-(Methylthio)benzaldehyde is widely used as a key precursor in the synthesis of pharmaceuticals, agrochemicals, and flavoring agents. Its reactive aldehyde group enables condensation reactions to form imines, hydrazones, and other derivatives for drug discovery. In material science, it contributes to the development of liquid crystals and photoactive compounds. Researchers also utilize it as a starting material for synthesizing sulfur-containing heterocycles, which are prevalent in bioactive molecules.

Safety and Hazards

GHS Hazard Statements

• H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (16.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H335 (33.3%): 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, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (33.3%)
• Acute Tox. 4 (66.7%)
• Skin Irrit. 2 (33.3%)
• Eye Irrit. 2A (33.3%)
• STOT SE 3 (33.3%)

If you are interested or have any questions, please contact us at support@atomfair.com

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