TCI M3063 is 6-Methyl-1,3-benzoxazole-2(3H)-thione, CAS 23417-29-0, a heterocyclic building block that combines a benzoxazole framework with a thione group at the two position. The compound holds an important place in synthetic laboratories because it presents several reactive handles within a single small molecule: a strongly nucleophilic sulfur atom, a ring nitrogen available for alkylation, and a methyl-substituted aromatic ring ready for further modification. In other words, this material is not an end product but an economical starting point for constructing more elaborate molecules.
The characteristic property that makes this compound a preferred choice is its thione–thiol tautomeric equilibrium. Under certain reaction conditions the molecule behaves as a heterocyclic thiol, so it readily forms sulfur–carbon bonds through S-alkylation, or sulfur–metal bonds through coordination. This capacity to bind metals is precisely what makes benzoxazole-2-thione derivatives attractive as ligands and as candidate corrosion inhibitors on metal surfaces. The methyl group at the six position exerts a subtle electronic and steric influence, which in structure–activity relationship studies frequently becomes an important variable for comparing analogues within a series.
In Indonesian laboratories, a building block of this type is typically held by university research groups and institutional chemistry units that run multi-step organic synthesis, as well as by materials and surface-science teams examining metal protection. It is normally ordered in small research quantities rather than bulk, used as an intermediate across a planned reaction sequence, and stored alongside other heterocyclic intermediates in the organic reagent inventory for repeat use across related experiments.
- S-alkylation chemistry: the nucleophilic sulfur reacts readily with alkyl halides, giving 2-alkylthio-benzoxazole derivatives that serve as intermediates toward larger target structures in multi-step routes.
- N-functionalisation: the ring nitrogen offers a second, distinct point of attack, letting researchers build N-substituted analogues and explore regiochemistry between sulfur and nitrogen reaction sites.
- Ligand preparation for coordination chemistry: the sulfur donor atom binds metal centres, so the compound is used to assemble benzoxazole-thione ligands and their corresponding metal complexes.
- Corrosion inhibitor research: benzoxazole-2-thione derivatives adsorb onto metal surfaces through sulfur coordination, making this material a practical candidate for inhibitor screening on test coupons.
- Structure–activity relationship studies: the six-position methyl group provides a defined electronic and steric variation, allowing systematic comparison against unsubstituted or differently substituted benzoxazole-thione analogues.
| Brand | TCI (Tokyo Chemical Industry) |
|---|---|
| CAS number | 23417-29-0 |
| Molecular formula | — |
| Purity | — |
| Category | Chemistry > Building Blocks > Heterocyclic Building Blocks |
| Pack sizes | supplied in standard TCI research-scale packs; please refer to the current catalogue listing for available sizes |
| Physical form | — |
| Storage | keep in a cool, dry place in the tightly closed original container |
- Chemical name: 6-Methyl-1,3-benzoxazole-2(3H)-thione
Store the container tightly closed in a cool, dry, well-ventilated area, away from direct sunlight, heat sources, and strong oxidising agents. The original supplier packaging is the most suitable container; where transfer is necessary, use clean, chemically compatible glass vessels with secure closures and clear labelling that records the substance name, CAS number, and date opened. Handle the material inside a fume hood, wearing safety glasses, nitrile gloves, and a laboratory coat, since sulfur-containing heterocycles may have an appreciable odour. Avoid inhalation of dust and any contact with skin or eyes. Weigh out quantities promptly and reseal the container to limit moisture uptake. Always consult the manufacturer's safety data sheet before first use, and dispose of residues and contaminated consumables through your institution's chemical waste procedures.
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