S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride
C8H19ClN2OS
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Identification
- CAS Number
- 19622-19-6
- EC Number
- 243-193-9
- UN Number
- 3077
- Index Number
- 006-061-00-X
- PubChem CID
- 13503892
Physical-chemical properties
- Molecular Formula
- C8H19ClN2OS
- Molar Mass
- 226.77 g/mol
- IUPAC Name
- S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride
Chemical Identifiers
- InChI
- InChI=1S/C8H18N2OS.ClH/c1-4-12-8(11)9-6-5-7-10(2)3;/h4-7H2,1-3H3,(H,9,11);1H
- InChI Key
- NMFAMPYSJHIYMR-UHFFFAOYSA-N
Overview
S-ethyl N-[3-(dimethylamino)propyl]carbamothioate hydrochloride (CAS 19622-19-6) is an organosulfur carbamothioate compound with moderate acute toxicity and aquatic environmental concerns. This specialized chemical compound, also identified by EC number 243-193-9, belongs to the carbamothioate family of organosulfur derivatives. With a molecular formula of C8H19ClN2OS and molecular weight of 226.77 g/mol, it features a characteristic thioester linkage combined with a dimethylamino-substituted propyl chain. The hydrochloride salt form enhances its stability and handling properties compared to the free base. The compound exhibits moderate acute toxicity (Class 4) and chronic aquatic toxicity (Class 2), requiring appropriate safety measures during handling and storage. Its hazard profile is indicated by GHS07 and GHS09 pictograms with a "Warning" signal word. Transportation falls under ADR Class 9 (miscellaneous dangerous substances), reflecting its specialized handling requirements. Unlike more complex compounds such as benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate, this carbamothioate maintains relatively straightforward storage conditions. Primary industrial applications include its use as a chemical intermediate in pharmaceutical synthesis, particularly in the development of compounds requiring carbamothioate functionalities. The compound also finds application in specialized organic synthesis reactions and as a research chemical in medicinal chemistry programs. Its unique combination of sulfur, nitrogen, and ester functionalities makes it valuable for creating more complex molecular architectures. The dimethylamino group provides nucleophilic reactivity, while the ethyl thioester offers electrophilic sites for further chemical transformations. This dual reactivity pattern distinguishes it from simpler derivatives and enables diverse synthetic pathways in industrial chemistry applications. OYSI maintains reliable availability of S-ethyl N-[3-(dimethylamino)propyl]carbamothioate hydrochloride for qualified industrial customers across Europe.
Safety & Classification
Acute Tox. 4 *; Aquatic Chronic 2
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
Ingestion
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | S-Ethyl-N-(dimethylaminopropyl)thiocarbamat-hydrochlorid |
| Marine Pollutant | No |
Frequently Asked Questions
What is S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride?
S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride is an organic chemical compound with CAS number 19622-19-6 and molecular formula C8H19ClN2OS. This carbamothioate derivative has a molecular weight of 226.77 g/mol and contains both sulfur and nitrogen functional groups. It is classified as a moderately hazardous substance with acute toxicity category 4 and chronic aquatic toxicity category 2 properties.
What are the physicochemical properties of S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride?
S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride is a solid compound at room temperature with a molecular weight of 226.77 g/mol. As a hydrochloride salt, it typically exhibits good water solubility due to its ionic nature. The compound contains carbamothioate functionality with dimethylamino and ethyl substituents, giving it both hydrophilic and lipophilic characteristics. Specific physical properties like melting point and appearance may vary depending on purity and crystal form.
What is S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride used for?
S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride is primarily used as a chemical intermediate in pharmaceutical and fine chemical synthesis. Its carbamothioate structure makes it valuable for developing bioactive compounds and drug derivatives. The compound may also serve in research applications for studying sulfur-nitrogen chemistry and as a building block for more complex molecular structures in medicinal chemistry and agrochemical development.
How to handle S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride safely?
S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride requires careful handling due to its Acute Tox. 4 classification. Wear appropriate personal protective equipment including safety gloves, eye protection, and lab coats. Work in well-ventilated areas or under fume hoods to avoid inhalation. Avoid skin and eye contact, and do not ingest. Follow good laboratory practices, wash hands thoroughly after handling, and ensure emergency procedures are readily available.
How to store S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride correctly?
S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride should be stored in a cool, dry place away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Store separately from incompatible materials such as strong oxidizing agents and bases. Maintain storage temperature below 25°C when possible, and ensure adequate ventilation in storage areas. Label containers clearly and follow local chemical storage regulations.
What to do in case of contact with S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride?
Immediate action is required upon contact with S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride due to its toxicity. For skin contact, remove contaminated clothing and wash affected area with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek medical attention. Always consult a poison control center or physician for exposure incidents.
How to dispose of S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride appropriately?
S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride must be disposed of as hazardous chemical waste through licensed waste management companies. Do not discharge into sewers, waterways, or regular trash due to its aquatic toxicity classification. Collect waste in appropriate containers, label clearly, and maintain disposal records. Follow local and EU waste regulations including the Waste Framework Directive. Consider incineration at authorized high-temperature facilities as a preferred disposal method for organic compounds.
How to transport S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride?
S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transport purposes. Use appropriate packaging meeting UN specification requirements for Class 9 materials. Ensure proper labeling with GHS07 and GHS09 pictograms and 'Warning' signal word. Transport documentation must include proper shipping names and hazard declarations. Follow ADR regulations for loading, segregation, and driver training requirements for European road transport.
Is S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride subject to specific regulations?
S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride is regulated under EU REACH and CLP regulations requiring registration and hazard classification. It is not currently listed as a Substance of Very High Concern (SVHC). Suppliers must provide Safety Data Sheets and ensure proper labeling with GHS pictograms GHS07 and GHS09. Users must comply with occupational exposure limits and waste disposal regulations. Import/export may require additional documentation depending on destination country requirements.
Where to buy S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride in Europe?
S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides this compound to research institutions, pharmaceutical companies, and chemical manufacturers across Europe with proper documentation and regulatory compliance. Contact OYSI directly for availability, specifications, and ordering information. Ensure your organization has appropriate handling capabilities and regulatory permits before purchasing this classified chemical substance.
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S-ethyl N-[3-(dimethylamino)propyl]carbamothioate;hydrochloride 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.