1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea

C7H12N4O3S2

CAS30043-49-3
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
30043-49-3
EC Number
250-010-6
UN Number
3077
Index Number
616-030-00-8
PubChem CID
91596

Physical-chemical properties

Molecular Formula
C7H12N4O3S2
Molar Mass
264.30 g/mol
IUPAC Name
1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea

Chemical Identifiers

InChI
InChI=1S/C7H12N4O3S2/c1-4-16(13,14)7-10-9-6(15-7)11(3)5(12)8-2/h4H2,1-3H3,(H,8,12)
InChI Key
KCOCSOWTADCKOL-UHFFFAOYSA-N

Overview

1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea (CAS 30043-49-3) is a thiadiazole-based chemical compound with sulfonyl and urea functional groups, exhibiting sensitizing properties. This specialized organic compound belongs to the thiadiazole family, characterized by its five-membered heterocyclic ring containing sulfur and nitrogen atoms. The molecular structure features an ethylsulfonyl substituent at position 5 of the thiadiazole ring, coupled with a dimethylurea moiety, resulting in a molecular formula of C7H12N4O3S2 and a molecular weight of 264.3 g/mol. The European Commission has assigned it the EC number 250-010-6, confirming its registration within the EU chemical inventory. From a safety perspective, this compound requires careful handling due to its classification as a skin sensitizer (Skin Sens. 1) and its significant aquatic toxicity (Aquatic Acute 1; Aquatic Chronic 1). The GHS07 and GHS09 pictograms indicate both health hazards and environmental dangers, while the "Warning" signal word reflects moderate hazard levels. Transportation falls under ADR Class 9, designating it as a miscellaneous dangerous substance. Industrial applications typically focus on agrochemical intermediates and pharmaceutical research, where thiadiazole derivatives serve as valuable building blocks. The compound's structural similarity to other heterocyclic systems like 2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole makes it useful in comparative studies and synthetic pathway development. It may also find applications in materials science research, particularly in developing compounds with specific biological activities. OYSI maintains reliable supply chains for this specialized thiadiazole derivative, supporting European customers in pharmaceutical, agrochemical, and research sectors with consistent quality and regulatory compliance.

Safety & Classification

Warning
Classification:

Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H317

May cause an allergic skin reaction.

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

Skin Contact

Irritant

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameEthidimuron (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea?

1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea is an organosulfur compound with the molecular formula C7H12N4O3S2 and CAS number 30043-49-3. This chemical features a thiadiazole ring system combined with a substituted urea group and an ethylsulfonyl substituent. With a molecular weight of 264.3 g/mol, it is classified as a skin sensitizer and poses aquatic toxicity risks, requiring careful handling in industrial applications.

What are the physicochemical properties of 1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea?

1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea is a solid compound at room temperature with a molecular weight of 264.3 g/mol. The compound contains multiple polar functional groups including sulfonyl, thiadiazole, and urea moieties, which influence its solubility characteristics. Its chemical structure suggests moderate polarity, and the presence of nitrogen and sulfur heteroatoms contributes to its specific reactivity profile and stability under normal conditions.

What is 1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea used for?

1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its thiadiazole-urea structure makes it valuable for developing bioactive compounds, particularly in pesticide formulations and drug discovery programs. The compound serves as a building block for creating more complex molecules with enhanced biological activity, contributing to research and development in crop protection and pharmaceutical industries.

How to handle 1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea safely?

1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea requires careful handling due to its skin sensitization properties. Essential safety measures include wearing protective gloves, safety glasses, and appropriate clothing to prevent skin contact. Work should be conducted in well-ventilated areas or under fume hoods. Avoid generating dust and ensure proper hygiene practices. Emergency eyewash and safety shower facilities should be readily accessible when handling this compound.

How to store 1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea correctly?

1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Store away from incompatible materials and ensure proper labeling with hazard information. Storage areas should have appropriate spill containment measures and access restrictions to prevent environmental release and unauthorized handling.

What to do in case of contact with 1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea?

Immediate action is required if contact occurs with 1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea. For skin contact, remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air. Seek medical attention if irritation persists or sensitization symptoms develop.

How to dispose of 1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea properly?

1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea must be disposed of through licensed hazardous waste contractors due to its aquatic toxicity classification. The compound cannot be discharged to sewers or waterways and requires specialized treatment. Contaminated packaging should also be treated as hazardous waste. Disposal must comply with local and EU waste regulations, including proper documentation and tracking throughout the disposal process.

How to transport 1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea?

1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation for road transport. Shipments must include proper shipping names, UN numbers, and hazard labels. Transport vehicles should carry appropriate emergency equipment, and drivers must have relevant dangerous goods training certification according to ADR regulations.

Is 1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea subject to specific regulations?

1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea is subject to REACH registration requirements in Europe and must comply with CLP classification and labeling regulations. The compound is classified as Skin Sens. 1, Aquatic Acute 1, and Aquatic Chronic 1, requiring appropriate hazard communication. While not currently listed as a SVHC, users must ensure compliance with occupational exposure limits and environmental protection measures under relevant EU legislation.

Where to buy 1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea in Europe?

1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to pharmaceutical, agrochemical, and research industries across Europe with proper documentation and regulatory compliance. As a professional chemical distributor, OYSI ensures quality standards and provides technical support for safe handling and application guidance to meet your specific industrial requirements.

Data Sources

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