S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride

C7H16ClN3O2S2

CAS15263-52-2
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 carbamate functionality and dimethylamino groups. This specialized chemical compound, also identified by EC number 239-309-2, represents a unique organosulfur derivative with a molecular formula of C7H16ClN3O2S2 and molecular weight of 273.8 g/mol. The compound features a distinctive molecular structure combining carbamate groups with sulfur-containing moieties and tertiary amine functionality, making it valuable for specific industrial applications requiring these combined chemical properties. From a safety perspective, this compound requires careful handling due to its classification as Acute Tox. 4 for multiple exposure routes and its significant environmental impact, being classified as Aquatic Acute 1 and Aquatic Chronic 1. The GHS07 and GHS09 pictograms indicate both health hazards and environmental dangers, with a "Warning" signal word. Transportation falls under ADR class 6.1, reflecting its toxic properties and requiring appropriate logistics protocols. The compound's unique chemical structure, featuring both carbamoyl and dimethylamino groups, positions it within a specialized category of organosulfur chemicals. This structural complexity differentiates it from simpler organosulfur compounds like ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate, though both share sulfur-containing functionalities that make them valuable in specific chemical processes. Primary industrial applications include specialized chemical synthesis where the combination of carbamate and sulfur functionalities provides unique reactivity profiles, pharmaceutical intermediate production, and specialized materials chemistry applications. The compound's multifunctional nature makes it particularly valuable for custom synthesis projects requiring precise chemical modifications. OYSI maintains reliable supply chains for this specialized compound, supporting European customers with technical-grade material for industrial applications.

Safety & Classification

Warning
Classification:

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

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H312

Harmful in contact with skin.

H302

Harmful 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

Harmful

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 Number2771
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameCartap-hydrochlorid
Marine PollutantNo

Frequently Asked Questions

What is S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride?

S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride is an organic chemical compound with CAS number 15263-52-2 and molecular formula C7H16ClN3O2S2. This substance has a molecular weight of 273.8 g/mol and belongs to the class of carbamothioate derivatives. It contains sulfur, nitrogen, and chlorine functional groups, making it a complex heterocyclic compound with specific chemical properties and 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 hydrochloride salt with molecular formula C7H16ClN3O2S2 and molecular weight 273.8 g/mol. As a hydrochloride salt, it typically exists as a solid crystalline powder at room temperature. The presence of the hydrochloride group generally enhances water solubility compared to the free base form. Specific physical properties such as melting point, color, and odor require detailed analytical characterization.

What is S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride used for?

S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride is used primarily as a chemical intermediate in pharmaceutical and fine chemical synthesis. Its carbamothioate structure makes it valuable for developing compounds with biological activity. The compound may serve as a building block in medicinal chemistry research and drug development processes. Industrial applications include use in specialized chemical manufacturing where its unique molecular structure provides specific reactivity patterns essential for targeted synthetic pathways.

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 personal protective equipment includes safety goggles, chemical-resistant gloves, and protective clothing. Work in well-ventilated areas or under fume extraction to prevent inhalation exposure. Avoid direct skin and eye contact, and never eat, drink, or smoke while handling. Follow proper hygiene practices by washing hands thoroughly after use and before eating or leaving the work area.

How to store S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride correctly?

S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly closed in original packaging to prevent contamination and moisture absorption. Store separately from incompatible materials including strong oxidizing agents, acids, and bases. Ensure storage areas are equipped with appropriate spill containment measures and maintain proper inventory management to minimize exposure risks during handling.

What to do in case of contact with S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride?

In case of skin contact with S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with plenty of clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. If swallowed, do not induce vomiting and seek immediate medical attention. Always consult a physician if symptoms develop or persist after exposure.

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 through licensed hazardous waste management facilities due to its toxicity and environmental hazard classification. Never dispose of in regular trash, sewers, or water systems as it poses aquatic toxicity risks. Contact certified waste disposal companies for proper collection and treatment. Keep detailed records of disposal activities for regulatory compliance. Small laboratory quantities may require special packaging and labeling according to local hazardous waste regulations before collection.

How to transport S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride?

S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride is classified as ADR Class 6.1 (toxic substances) Packing Group III for transport. This classification requires specific packaging, labeling, and documentation procedures. Packages must bear appropriate hazard labels and UN identification numbers. Transport vehicles need proper placarding and drivers require ADR certification. Shipping documentation must include proper shipping names, hazard classifications, and emergency contact information. Consult current ADR regulations for complete transport requirements and any updates to classification.

Is S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride subject to particular regulations?

S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride is subject to REACH registration requirements in Europe and CLP classification regulations. It is not currently identified as a Substance of Very High Concern (SVHC). The substance requires safety data sheets compliant with GHS standards, displaying Warning signal word and GHS07/GHS09 pictograms. Users must comply with workplace exposure limits, environmental discharge restrictions, and proper waste disposal regulations. Regular regulatory monitoring is essential as classifications may change.

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 chemical products. OYSI provides this compound to industrial customers, research institutions, and chemical manufacturers across Europe. As a professional chemical distributor, OYSI ensures proper handling, packaging, and regulatory compliance for all shipments. Contact OYSI directly for availability, specifications, and ordering information. All products come with complete documentation including safety data sheets and certificates of analysis.

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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.

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Data Sources

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