3H-1,3-benzothiazole-2-thione
C7H5NS2
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Identification
- CAS Number
- 149-30-4
- EC Number
- 205-736-8
- UN Number
- 3077
- Index Number
- 613-108-00-3
- PubChem CID
- 697993
Physical-chemical properties
- Molecular Formula
- C7H5NS2
- Molar Mass
- 167.30 g/mol
- IUPAC Name
- 3H-1,3-benzothiazole-2-thione
Chemical Identifiers
- InChI
- InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
- InChI Key
- YXIWHUQXZSMYRE-UHFFFAOYSA-N
Overview
3H-1,3-benzothiazole-2-thione (CAS 149-30-4) is an organosulfur heterocyclic compound with notable sensibilizing properties and environmental impact considerations. This benzothiazole derivative, with molecular formula C7H5NS2 and molecular weight 167.3 g/mol, represents an important class of sulfur-containing heterocyclic compounds widely utilized in industrial applications. The molecule features a fused benzene-thiazole ring system with an additional sulfur atom, creating a thione functional group that contributes to its unique chemical properties and reactivity profile. From a safety perspective, 3H-1,3-benzothiazole-2-thione is classified as a skin sensitizer (Skin Sens. 1) and poses significant environmental concerns with acute and chronic aquatic toxicity ratings (Aquatic Acute 1; Aquatic Chronic 1). These classifications require careful handling protocols and appropriate personal protective equipment during industrial processing. The compound carries GHS07 and GHS09 pictograms with a "Warning" signal word, and is classified under ADR Class 9 for transportation purposes. Industrial applications of this benzothiazole compound primarily focus on rubber vulcanization acceleration, where it serves as an effective accelerator in sulfur vulcanization processes. The compound also finds use in the synthesis of specialty chemicals and as an intermediate in pharmaceutical manufacturing. Its structural similarity to compounds like 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole makes it valuable in developing related chemical derivatives for specific industrial applications. The unique thione functionality and heterocyclic structure make this compound particularly valuable in applications requiring specific sulfur chemistry interactions. OYSI maintains reliable supply chains for 3H-1,3-benzothiazole-2-thione to support European industrial customers across these diverse application sectors.
Safety & Classification
Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Benzothiazol-2-thiol |
| Marine Pollutant | No |
Frequently Asked Questions
What is 3H-1,3-benzothiazole-2-thione?
3H-1,3-benzothiazole-2-thione is an organosulfur compound with the molecular formula C7H5NS2 and CAS number 149-30-4. This heterocyclic compound contains both nitrogen and sulfur atoms within its benzothiazole ring structure. With a molecular weight of 167.3 g/mol, it is classified as a skin sensitizer and poses environmental hazards to aquatic life, requiring careful handling in industrial applications.
What are the physicochemical properties of 3H-1,3-benzothiazole-2-thione?
3H-1,3-benzothiazole-2-thione typically appears as a crystalline solid at room temperature with a characteristic sulfur-containing compound odor. The molecule contains both aromatic benzene and thiazole ring systems, contributing to its stability and chemical reactivity. Its solubility varies depending on the solvent, with polar aprotic solvents generally providing better dissolution than water due to its organic heterocyclic structure.
What is 3H-1,3-benzothiazole-2-thione used for?
3H-1,3-benzothiazole-2-thione serves as an important intermediate in pharmaceutical synthesis and chemical manufacturing processes. It is commonly used in the production of various benzothiazole derivatives and as a building block for more complex organic molecules. The compound also finds applications in research laboratories for synthetic chemistry studies and in the development of specialized chemical products requiring sulfur-nitrogen heterocyclic structures.
How to handle 3H-1,3-benzothiazole-2-thione safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume hoods to avoid inhalation exposure, as the compound is classified as a skin sensitizer (Skin Sens. 1). Avoid direct contact with skin and eyes, and ensure proper hygiene practices including thorough handwashing after handling.
How to store 3H-1,3-benzothiazole-2-thione correctly?
Store 3H-1,3-benzothiazole-2-thione in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers properly labeled and segregated from incompatible materials, particularly strong oxidizing agents. Maintain storage areas with appropriate temperature control and ensure containers are made of compatible materials to prevent degradation or contamination of the product.
What to do in case of contact with 3H-1,3-benzothiazole-2-thione?
In case of skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for at least 15 minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. Seek medical attention if irritation persists or if sensitization symptoms develop, as this compound is classified as a skin sensitizer.
How to dispose of 3H-1,3-benzothiazole-2-thione properly?
Disposal must comply with local, national, and international environmental regulations due to its aquatic toxicity classification (Aquatic Acute 1; Aquatic Chronic 1). Contact licensed waste disposal companies specialized in hazardous chemical waste management. Never dispose of this substance through regular drainage systems or municipal waste streams. Ensure proper documentation and tracking of waste disposal according to applicable environmental protection laws.
How to transport 3H-1,3-benzothiazole-2-thione?
3H-1,3-benzothiazole-2-thione is classified under ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. Use appropriate packaging that meets UN specification requirements for this classification. Ensure proper labeling with hazard pictogrammes GHS07 and GHS09, and include necessary transport documentation. Follow ADR regulations for loading, segregation, and vehicle requirements when shipping this material.
Is 3H-1,3-benzothiazole-2-thione subject to specific regulations?
3H-1,3-benzothiazole-2-thione falls under REACH regulation for chemical registration and evaluation within the European Union. It is classified under CLP regulation with specific hazard pictogrammes (GHS07, GHS09) and warning signal word. The substance is not currently listed as SVHC (Substance of Very High Concern), but its skin sensitization and aquatic toxicity properties require compliance with relevant safety and environmental protection regulations.
Where to buy 3H-1,3-benzothiazole-2-thione in Europe?
3H-1,3-benzothiazole-2-thione is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance for industrial and research applications. Contact OYSI directly for availability, technical specifications, packaging options, and delivery throughout Europe while ensuring all regulatory requirements are met.
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3H-1,3-benzothiazole-2-thione is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.