1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate is an organosulfur compound with the molecular formula C9H6N2S3 and CAS number 21564-17-0. This chemical features a benzothiazole ring system linked to a thiocyanate group through a sulfanylmethyl bridge. With a molecular weight of 238.4 g/mol, it belongs to the class of heterocyclic compounds containing both nitrogen and sulfur atoms, making it valuable in various chemical applications.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate is a solid compound at room temperature with a molecular weight of 238.4 g/mol. The presence of multiple sulfur atoms and the benzothiazole ring system suggests limited water solubility but good solubility in organic solvents. Its structure indicates potential stability under normal conditions, though specific melting point, boiling point, and density data would require analytical determination for precise characterization.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate is primarily used as an intermediate in organic synthesis and pharmaceutical research. Its benzothiazole structure makes it valuable in the development of antimicrobial agents, fungicides, and other bioactive compounds. The compound may also serve as a building block in the synthesis of more complex heterocyclic molecules for agrochemical and pharmaceutical applications, particularly where sulfur-containing heterocycles are required.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate requires careful handling due to its classification as Acute Tox. 2 and 4, with 'Danger' signal word and GHS06 pictogram. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and lab coats. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent skin and eye contact as the substance causes skin and eye irritation and may cause skin sensitization.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers upright and properly labeled. Store away from oxidizing agents, strong acids, and bases. Due to its toxicity classification, ensure storage in designated areas with restricted access and appropriate safety measures. Regularly inspect containers for damage or leakage.

In case of skin contact with 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15-20 minutes while holding eyelids open. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always seek professional medical advice for any exposure incident.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate must be disposed of as hazardous waste according to local, national, and EU regulations. Due to its toxicity and environmental hazard classification (Aquatic Acute 1), it cannot be disposed of in regular waste streams. Contact licensed hazardous waste disposal companies for proper treatment. Contaminated containers should also be treated as hazardous waste. Never discharge into sewers, waterways, or soil.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate is classified under ADR Class 6.1 (toxic substances), Packing Group II, indicating moderate toxicity requiring special transport precautions. Packages must be properly labeled with appropriate hazard labels and UN identification numbers. Transportation must comply with ADR regulations for dangerous goods, including proper packaging, documentation, and vehicle requirements. Only trained personnel should handle transportation, and emergency response information must be available during transport.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate is subject to various European regulations including REACH registration requirements and CLP classification for hazard communication. While not currently listed as a SVHC (Substance of Very High Concern), its toxic and environmentally hazardous properties require compliance with occupational safety regulations and environmental protection laws. Users must ensure proper risk assessments, safety data sheet provisions, and worker protection measures are implemented according to EU chemical legislation.

1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate is available through OYSI, a specialized European distributor of fine chemicals and research compounds. As a professional chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for this hazardous substance. Contact OYSI directly for availability, specifications, and technical support. Due to the substance's toxicity classification, purchases may be restricted to qualified industrial users and research institutions with appropriate safety facilities and expertise.