3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one

C6H11N2O4PS3

CAS950-37-8
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
950-37-8
EC Number
213-449-4
UN Number
2783
Index Number
015-069-00-2
PubChem CID
13709

Physical-chemical properties

Molecular Formula
C6H11N2O4PS3
Molar Mass
302.30 g/mol
IUPAC Name
3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one

Chemical Identifiers

InChI
InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3
InChI Key
MEBQXILRKZHVCX-UHFFFAOYSA-N

Overview

3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one (CAS 950-37-8) is an organophosphorus thiadiazole compound with potent biological activity and environmental toxicity properties. This specialized chemical compound represents a complex organophosphorus derivative featuring a thiadiazole ring system combined with phosphorothioate functionality. With the molecular formula C6H11N2O4PS3 and a molecular weight of 302.3 g/mol, this substance exhibits significant biological activity that makes it valuable in specific industrial applications while requiring careful handling protocols due to its toxicological profile. The compound is classified under multiple hazard categories, including Acute Toxicity Category 2 and 4, indicating severe health risks upon exposure. Its environmental classification as Aquatic Acute 1 and Aquatic Chronic 1 demonstrates substantial aquatic toxicity, requiring specialized waste management and containment procedures. The presence of GHS06 (skull and crossbones) and GHS09 (environmental hazard) pictogrammes emphasizes the critical importance of proper safety measures during handling, storage, and transportation under ADR Class 6.1 regulations. In industrial applications, this organophosphorus compound finds primary use in agricultural chemical synthesis, particularly in the development of specialized pesticide formulations where its unique phosphorothioate structure provides specific modes of action. It also serves as an intermediate in pharmaceutical research and as a specialized reagent in organic synthesis processes requiring selective phosphorus-sulfur chemistry. The compound shares structural similarities with other organophosphorus compounds like 3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one, though with distinct reactivity profiles. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for qualified industrial customers requiring this high-purity organophosphorus intermediate.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Acute Tox. 2 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H312

Harmful in contact with skin.

H300

Fatal 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

Skin Contact

Harmful

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:

Ingestion

Fatal

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 Number2783
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameMethidathion (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one?

3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one is an organophosphorus compound with the molecular formula C6H11N2O4PS3 and CAS number 950-37-8. This chemical substance has a molecular weight of 302.3 g/mol and contains multiple sulfur atoms along with phosphorus, nitrogen, and oxygen functionalities. It belongs to the thiadiazole family of compounds and features both methoxy and phosphinothioyl groups in its structure.

What are the physicochemical properties of 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one?

3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one has a molecular weight of 302.3 g/mol and molecular formula C6H11N2O4PS3. The compound contains multiple heteroatoms including three sulfur atoms, one phosphorus atom, two nitrogen atoms, and four oxygen atoms. As an organophosphorus thiadiazole derivative, it likely exhibits moderate polarity due to its methoxy groups and heterocyclic structure.

What is 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one used for?

3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one is primarily used as a pesticide active ingredient in agricultural applications. This organophosphorus compound serves as an insecticide or acaricide for crop protection. Its thiadiazole structure combined with phosphorus functionality provides effective pest control properties. The substance is typically incorporated into formulated products for professional agricultural use rather than being applied directly.

How to handle 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one safely?

3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one requires careful handling due to its Acute Tox. 4 and Acute Tox. 2 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work in well-ventilated areas or use local exhaust ventilation. Avoid skin contact, inhalation, and ingestion. Wash hands thoroughly after handling and remove contaminated clothing immediately.

How to store 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one correctly?

3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from light and moisture. Store away from food, feed, and drinking water. Due to its toxic properties, ensure storage areas are secure and accessible only to authorized personnel. Maintain proper labeling and inventory records.

What to do in case of contact with 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one?

Immediate action is required upon contact with 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one due to its high toxicity. For skin contact, remove contaminated clothing and wash affected area with soap and water for 15 minutes. In case of eye contact, rinse immediately with water for 15 minutes. If inhaled, move to fresh air. If ingested, do not induce vomiting and seek immediate medical attention.

How to dispose of 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one appropriately?

3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one must be disposed of as hazardous waste due to its toxic and environmentally hazardous properties. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never dispose of in regular waste streams, sewers, or the environment. Follow local and national regulations for hazardous waste management. Containers should also be handled as hazardous waste.

How to transport 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one?

3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one is classified under ADR Class 6.1 (toxic substances), Packing Group II. Transportation requires proper dangerous goods packaging, labeling with GHS06 and GHS09 pictograms, and appropriate shipping documentation. Only trained personnel should handle dangerous goods transport. Vehicles must display proper placarding and carry emergency response information. Comply with all applicable dangerous goods regulations.

Is 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one subject to special regulations?

3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one is subject to multiple regulations including REACH registration, CLP classification, and pesticide regulations. It is not currently listed as an SVHC substance. The compound requires proper classification labeling with 'Danger' signal word and appropriate hazard pictograms (GHS06, GHS09). Users must comply with occupational safety regulations and environmental protection requirements due to its aquatic toxicity.

Where to buy 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one in Europe?

3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one is available through OYSI, a trusted European chemical distributor specializing in technical chemicals. OYSI provides reliable supply chains across Europe with proper documentation and regulatory compliance. Contact OYSI directly for availability, specifications, and pricing information. Due to the substance's hazardous nature, purchases may require proper licensing and intended use documentation in accordance with European chemical regulations.

Services for 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one

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3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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