2-(dimethylamino)ethanethioamide;hydrochloride

C4H11ClN2S

CAS27366-72-9
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
27366-72-9
EC Number
435-470-1
UN Number
3077
Index Number
616-180-00-4
PubChem CID
13121932

Physical-chemical properties

Molecular Formula
C4H11ClN2S
Molar Mass
154.66 g/mol
IUPAC Name
2-(dimethylamino)ethanethioamide;hydrochloride

Chemical Identifiers

InChI
InChI=1S/C4H10N2S.ClH/c1-6(2)3-4(5)7;/h3H2,1-2H3,(H2,5,7);1H
InChI Key
OQANDCSWKZVVQI-UHFFFAOYSA-N

Overview

2-(dimethylamino)ethanethioamide hydrochloride (CAS 27366-72-9) is an organosulfur compound featuring both dimethylamino and thioamide functional groups with significant biological activity potential. This specialized chemical compound represents an important class of thioamide derivatives that combines the reactivity of sulfur-containing functional groups with tertiary amine characteristics. The hydrochloride salt form enhances the compound's stability and solubility properties compared to its free base counterpart, making it more suitable for various industrial applications and research purposes. With a molecular weight of 154.66 g/mol and the molecular formula C4H11ClN2S, this compound exhibits unique chemical properties that distinguish it from related dimethylamino compounds such as 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one, which features a more complex aromatic structure. The compound is classified under reproductive toxicity category 1B and presents acute and chronic aquatic toxicity risks, requiring careful handling protocols and appropriate safety measures. Its classification as ADR Class 9 (miscellaneous dangerous goods) reflects the need for specialized transportation and storage conditions. The presence of both GHS08 (health hazard) and GHS09 (environmental hazard) pictograms emphasizes the importance of proper risk management when working with this material. Primary industrial applications include use as a chemical intermediate in pharmaceutical synthesis, as a research reagent in biochemical studies, and in the development of specialized organic compounds. The thioamide functionality makes it particularly valuable in medicinal chemistry applications where sulfur-containing analogs of amide compounds are required. OYSI provides this high-purity specialty chemical to qualified industrial customers across Europe, ensuring compliance with all relevant safety and regulatory requirements.

Safety & Classification

Danger
Classification:

Repr. 1B; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameN,N-(Dimethylamino)thioacetamid-hydrochlorid
Marine PollutantNo

Frequently Asked Questions

What is 2-(dimethylamino)ethanethioamide hydrochloride?

2-(dimethylamino)ethanethioamide hydrochloride is an organic compound with the molecular formula C4H11ClN2S and CAS number 27366-72-9. It belongs to the thioamide family, featuring a dimethylamino group attached to an ethanethioamide backbone, stabilized as a hydrochloride salt. With a molecular weight of 154.66 g/mol, this compound is classified as a reproductive toxicant (Repr. 1B) and poses significant environmental hazards to aquatic life.

What are the physico-chemical properties of 2-(dimethylamino)ethanethioamide hydrochloride?

2-(dimethylamino)ethanethioamide hydrochloride typically appears as a crystalline solid at room temperature due to its hydrochloride salt form. As a hydrochloride salt, it generally exhibits good water solubility, making it readily dispersible in aqueous solutions. The compound contains both hydrophilic (dimethylamino and hydrochloride) and lipophilic (thioamide) functional groups, contributing to its chemical versatility and potential biological activity in various applications.

What is 2-(dimethylamino)ethanethioamide hydrochloride used for?

2-(dimethylamino)ethanethioamide hydrochloride is primarily used as a chemical intermediate in pharmaceutical and fine chemical synthesis. Its thioamide functionality makes it valuable in the development of bioactive compounds and drug precursors. The compound may also serve in research applications for studying sulfur-containing organic molecules. However, due to its reproductive toxicity classification (Repr. 1B), its applications are strictly regulated and limited to professional industrial use with appropriate safety measures.

How to handle 2-(dimethylamino)ethanethioamide hydrochloride safely?

2-(dimethylamino)ethanethioamide hydrochloride requires strict safety protocols due to its reproductive toxicity and environmental hazards. Personal protective equipment must include chemical-resistant gloves, safety goggles, and respiratory protection when handling powders. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid skin contact, inhalation, and ingestion. Pregnant workers should not handle this substance. Implement containment measures to prevent environmental release, particularly to water systems.

How to store 2-(dimethylamino)ethanethioamide hydrochloride correctly?

2-(dimethylamino)ethanethioamide hydrochloride should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. As a hydrochloride salt, protect from moisture to prevent degradation. Store separately from strong oxidizing agents and bases. Ensure storage areas have appropriate containment systems to prevent environmental contamination. Access should be restricted to authorized personnel only, with clear hazard labeling indicating reproductive toxicity and environmental dangers.

What to do in case of contact with 2-(dimethylamino)ethanethioamide hydrochloride?

Skin contact with 2-(dimethylamino)ethanethioamide hydrochloride requires immediate removal of contaminated clothing and thorough washing with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always inform medical personnel about the substance's reproductive toxicity classification and provide safety data sheet information.

How to dispose of 2-(dimethylamino)ethanethioamide hydrochloride appropriately?

2-(dimethylamino)ethanethioamide hydrochloride disposal must comply with local hazardous waste regulations due to its reproductive toxicity and environmental hazards. The substance cannot be disposed of in regular waste streams or sewage systems. Contact licensed hazardous waste disposal companies for proper treatment, which typically involves high-temperature incineration or specialized chemical treatment. Contaminated materials, including packaging and protective equipment, must also be treated as hazardous waste. Maintain detailed disposal records for regulatory compliance.

How to transport 2-(dimethylamino)ethanethioamide hydrochloride?

2-(dimethylamino)ethanethioamide hydrochloride is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. Packages must comply with appropriate UN specification packaging requirements and be properly labeled with Class 9 hazard labels. Transport documents must include proper shipping names, UN numbers, and emergency response information. Vehicles should carry appropriate emergency equipment, and drivers must be trained in hazardous materials handling. Avoid transport during extreme weather conditions that could compromise package integrity.

Is 2-(dimethylamino)ethanethioamide hydrochloride subject to specific regulations?

2-(dimethylamino)ethanethioamide hydrochloride is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification as Repr. 1B (reproductive toxicant) with GHS08 and GHS09 pictograms. While not currently listed as an SVHC, its reproductive toxicity classification imposes strict handling, labeling, and safety data sheet requirements. Industrial users must implement appropriate risk management measures and may face restrictions on certain applications. Compliance with national occupational health regulations and environmental protection laws is mandatory.

Where to buy 2-(dimethylamino)ethanethioamide hydrochloride in Europe?

2-(dimethylamino)ethanethioamide hydrochloride is available through OYSI, a specialized European distributor of technical chemicals. As a professional chemical supplier, OYSI ensures full regulatory compliance including proper documentation, safety data sheets, and appropriate packaging for this hazardous substance. Due to the compound's reproductive toxicity classification, purchases are restricted to qualified industrial users with appropriate handling capabilities. Contact OYSI directly for availability, technical specifications, and regulatory documentation required for professional applications.

Data Sources

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