5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione

C4H4N2S3

CAS33813-20-6
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
33813-20-6
EC Number
251-684-4
UN Number
3077
Index Number
613-123-00-5
PubChem CID
36603

Physical-chemical properties

Molecular Formula
C4H4N2S3
Molar Mass
176.30 g/mol
IUPAC Name
5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione

Chemical Identifiers

InChI
InChI=1S/C4H4N2S3/c7-4-6-2-1-5-3(6)8-9-4/h1-2H2
InChI Key
BFTGQIQVUVTBJU-UHFFFAOYSA-N

Overview

5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione (CAS 33813-20-6) is a heterocyclic organosulfur compound with pronounced antimicrobial and biocidal properties. This specialized chemical compound features a unique fused ring system combining imidazole and dithiazole moieties, resulting in a molecular formula of C4H4N2S3 with a molecular weight of 176.3 g/mol. The presence of multiple sulfur atoms within its heterocyclic structure contributes to its distinctive chemical reactivity and biological activity profile. As a member of the thione class of compounds, it exhibits characteristic properties related to its sulfur-containing functional groups. The compound is classified under European regulations with the EC number 251-684-4 and carries specific hazard classifications including Acute Toxicity Category 4 and Aquatic toxicity concerns (Acute 1, Chronic 1), requiring appropriate handling protocols as indicated by GHS07 and GHS09 pictograms. Transport regulations classify it under ADR Class 9, reflecting its status as a miscellaneous dangerous substance requiring specialized logistics considerations. Industrial applications of 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione primarily focus on its antimicrobial efficacy in specialized formulations, biocide development for industrial preservation systems, and as an intermediate in pharmaceutical synthesis where its unique heterocyclic structure provides valuable building blocks. Unlike structurally different compounds such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, this dithiazole derivative offers distinct reactivity patterns particularly valuable in sulfur chemistry applications. OYSI maintains technical-grade supplies of 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione with comprehensive analytical documentation to support European industrial customers requiring this specialized heterocyclic compound.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

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

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name5,6-Dihydro-3H-imidazo[2,1-c]-1,2,4-dithiazol-3-thion
Marine PollutantNo

Frequently Asked Questions

What is 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione?

5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione is a heterocyclic organic compound with the molecular formula C4H4N2S3 and CAS number 33813-20-6. This chemical features a complex bicyclic structure containing nitrogen and sulfur atoms, with a molecular weight of 176.3 g/mol. It is classified as a hazardous substance with acute toxicity and aquatic toxicity properties, requiring careful handling and environmental protection measures.

What are the physicochemical properties of 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione?

5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione is a solid compound at room temperature with a molecular weight of 176.3 g/mol. The molecule contains three sulfur atoms and two nitrogen atoms within its heterocyclic structure, giving it distinctive chemical properties. Specific physical properties such as melting point, solubility, and appearance may vary depending on purity and crystalline form, and should be confirmed through technical documentation from suppliers.

What is 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione used for?

5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its unique heterocyclic structure makes it valuable for developing bioactive compounds and specialty chemicals. The compound may also serve in research applications for studying sulfur-nitrogen containing heterocycles. Specific applications should be confirmed with manufacturers, as uses may be restricted due to its hazardous classification.

How to handle 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione safely?

5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione requires careful handling due to its Acute Tox. 4 classification. Always wear appropriate personal protective equipment including gloves, safety glasses, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Avoid direct skin and eye contact. Ensure emergency procedures are in place and personnel are trained in safe handling practices before use.

How to store 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione correctly?

5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed and properly labeled with GHS07 and GHS09 pictograms. Store separately from oxidizing agents and other reactive chemicals. Due to its aquatic toxicity classification, ensure storage areas have appropriate spill containment measures to prevent environmental release.

What to do in case of contact with 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione?

Immediate action is required upon contact with 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione due to its acute toxicity. For skin contact, immediately remove contaminated clothing and flush with plenty of water for at least 15 minutes. In case of eye contact, rinse thoroughly with water and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for complete first aid procedures.

How to dispose of 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione properly?

5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione must be disposed of as hazardous waste through authorized waste management companies due to its toxicity and environmental hazard classification. Never discharge into sewers, waterways, or soil due to its Aquatic Acute 1 and Chronic 1 classification. Contact licensed hazardous waste disposal services and follow local environmental regulations. Contaminated packaging should also be treated as hazardous waste.

How to transport 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione?

5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Shipments must comply with dangerous goods transport requirements including proper packaging specifications, hazard labels, and transport documentation. Only use approved carriers trained in hazardous materials transport.

Is 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione subject to specific regulations?

5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione is subject to REACH registration requirements in the European Union and must comply with CLP regulation for classification and labeling. The compound is not currently listed as a Substance of Very High Concern (SVHC). Users must ensure compliance with workplace safety regulations, environmental protection laws, and transport regulations. Always verify current regulatory status as requirements may change over time.

Where to buy 5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione in Europe?

5,6-dihydroimidazo[2,1-c][1,2,4]dithiazole-3-thione is available through OYSI, a specialized European distributor of chemical products. As this compound requires careful handling due to its hazardous classification, purchase only from reputable suppliers who can provide proper documentation, safety data sheets, and technical support. OYSI offers professional service and expertise in handling specialty chemicals while ensuring regulatory compliance across European markets.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.