S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride
C7H16ClN3O2S2
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Identification
- CAS Number
- 15263-52-2
- EC Number
- 239-309-2
- UN Number
- 2771
- Index Number
- 616-017-00-7
- PubChem CID
- 30913
Physical-chemical properties
- Molecular Formula
- C7H16ClN3O2S2
- Molar Mass
- 273.80 g/mol
- IUPAC Name
- S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride
Chemical Identifiers
- InChI
- InChI=1S/C7H15N3O2S2.ClH/c1-10(2)5(3-13-6(8)11)4-14-7(9)12;/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12);1H
- InChI Key
- MSHXTAQSSIEBQS-UHFFFAOYSA-N
Overview
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate hydrochloride (CAS 15263-52-2) is an organosulfur compound with carbamothioate functionality and dimethylamino substitution. This specialized chemical compound, also identified by EC number 239-309-2, belongs to the carbamothioate class of organosulfur compounds characterized by its unique molecular structure containing both sulfur-carbon bonds and amino functional groups. With a molecular formula of C7H16ClN3O2S2 and molecular weight of 273.8 g/mol, this hydrochloride salt exhibits distinct chemical properties that make it valuable for various industrial applications. The compound presents moderate toxicity characteristics, classified as Acute Tox. 4 under GHS regulations, requiring careful handling procedures and appropriate safety measures. Its environmental profile shows significant aquatic toxicity, classified as both Aquatic Acute 1 and Aquatic Chronic 1, necessitating proper containment and disposal protocols. Transportation falls under ADR class 6.1, reflecting its toxic nature, with GHS07 and GHS09 pictograms indicating both health hazards and environmental concerns. Primary industrial applications include use as a chemical intermediate in pharmaceutical synthesis, agricultural chemical production, and specialized organic synthesis processes. The carbamothioate structure provides unique reactivity patterns particularly valuable in medicinal chemistry applications. In the broader context of organosulfur chemistry, this compound shares certain structural similarities with other specialized intermediates like ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate, though each serves distinct synthetic purposes. Manufacturing processes require controlled conditions due to the compound's sensitivity and toxicity profile. Quality specifications typically focus on purity levels, moisture content, and absence of specific impurities that could affect downstream applications. OYSI maintains reliable supply chains for this technical grade chemical compound, ensuring consistent availability for qualified industrial customers across European markets.
Safety & Classification
Acute Tox. 4 *; Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1
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
Skin Contact
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
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 | 2771 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | Cartap-hydrochlorid |
| Marine Pollutant | No |
Frequently Asked Questions
What is S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride?
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride is an organosulfur compound with the molecular formula C7H16ClN3O2S2 and CAS number 15263-52-2. This chemical substance has a molecular weight of 273.8 g/mol and contains both dimethylamino and carbamate functional groups. It is classified as a moderately hazardous chemical with acute toxicity properties and environmental concerns, requiring careful handling in industrial applications.
What are the physicochemical properties of S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride?
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride is a solid compound at room temperature with a molecular weight of 273.8 g/mol. As a hydrochloride salt, it typically exhibits good water solubility and stability. The compound contains sulfur atoms and nitrogen functionalities that influence its chemical behavior. Specific physical properties such as melting point, color, and odor would require detailed analytical characterization for precise determination.
What is S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride used for?
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride is used in specialized chemical applications where its unique organosulfur and carbamate structure provides specific functionality. The compound may serve as an intermediate in pharmaceutical synthesis, research applications, or specialty chemical manufacturing. Its dimethylamino group and carbamate moieties make it valuable for chemical modifications and synthetic transformations in controlled industrial environments where appropriate safety measures are implemented.
How to handle S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride safely?
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride requires careful handling due to its Acute Tox. 4 classification. Essential PPE includes safety gloves, protective clothing, eye protection, and adequate ventilation. Work should be conducted in well-ventilated areas or under fume hoods. Avoid inhalation, skin contact, and ingestion. Emergency eyewash stations and safety showers should be accessible. Personnel should be trained in proper handling procedures and emergency response protocols.
How to store S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride correctly?
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers away from heat sources, direct sunlight, and moisture. Storage areas should be equipped with appropriate containment measures and restricted access. Regular inspection of containers for damage or leakage is essential. Maintain inventory records and ensure proper labeling according to GHS requirements with Warning signal word.
What to do in case of contact with S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride?
Immediate first aid measures for S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride exposure include: skin contact - remove contaminated clothing and rinse thoroughly with water; eye contact - flush immediately with clean water for at least 15 minutes; inhalation - move to fresh air immediately; ingestion - do not induce vomiting, rinse mouth with water. Seek immediate medical attention in all cases. Provide safety data sheet information to medical personnel for proper treatment guidance.
How to dispose of S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride appropriately?
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride must be disposed of as hazardous waste according to local and national regulations. Due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications, prevent environmental release. Contact licensed waste disposal companies for proper treatment and disposal. Do not discharge to sewers, waterways, or soil. Waste containers should be properly labeled and stored securely until collection. Maintain disposal records for regulatory compliance.
How to transport S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride?
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride is classified under ADR Class 6.1, Packing Group III for transportation. This classification indicates toxic substances with moderate danger during transport. Appropriate UN-specification packaging is required, along with proper dangerous goods documentation, labeling, and placarding. Transporters must comply with ADR regulations including driver training, vehicle requirements, and emergency procedures. Shipping papers must accurately reflect the hazardous nature of the material.
Is S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride subject to specific regulations?
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride is not identified as a Substance of Very High Concern (SVHC) under REACH regulation. However, it falls under standard REACH registration requirements and CLP classification obligations due to its hazard profile. The substance requires proper classification, labeling, and safety data sheet provision. Users must comply with occupational health and safety regulations, environmental protection laws, and transport regulations. Regular regulatory monitoring is recommended for any updates to restrictions or classifications.
Where to buy S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride in Europe?
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides professional-grade chemical products with proper documentation, safety data sheets, and regulatory compliance support. As a reliable European supplier, OYSI ensures quality standards and proper handling throughout the supply chain. Contact OYSI directly for availability, specifications, packaging options, and technical support for your specific application requirements.
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S-[3-carbamoylsulfanyl-2-(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.