S-benzyl N,N-dipropylcarbamothioate

C14H21NOS

CAS52888-80-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
52888-80-9
EC Number
401-730-6
UN Number
3082
Index Number
006-072-00-X
PubChem CID
62020

Physical-chemical properties

Molecular Formula
C14H21NOS
Molar Mass
251.39 g/mol
IUPAC Name
S-benzyl N,N-dipropylcarbamothioate

Chemical Identifiers

InChI
InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChI Key
NQLVQOSNDJXLKG-UHFFFAOYSA-N

Overview

S-benzyl N,N-dipropylcarbamothioate (CAS 52888-80-9) is an organosulfur carbamate compound with thioester functionality and selective biological activity properties. This specialized chemical compound, also designated under EC number 401-730-6, represents a sophisticated carbamate derivative featuring a benzyl thioester linkage combined with dipropyl substitution on the nitrogen atom. With a molecular formula of C14H21NOS and molecular weight of 251.39 g/mol, S-benzyl N,N-dipropylcarbamothioate exhibits unique structural characteristics that make it valuable for specific industrial applications requiring controlled biological activity. The compound's safety profile is classified under multiple hazard categories, including Acute Toxicity Category 4, Skin Sensitization Category 1, and Aquatic Chronic Toxicity Category 2, requiring appropriate handling protocols and environmental considerations. The GHS07 and GHS09 pictograms indicate both health hazards and environmental concerns, while the ADR Class 9 classification designates it as a miscellaneous dangerous substance for transportation purposes. From a chemical perspective, this carbamate derivative shares certain structural similarities with other specialized compounds in the agricultural and pharmaceutical sectors, though it differs significantly from compounds like 2-chloro-6-(ethylamino)-4-nitrophenol in terms of mechanism and application. Unlike simpler organosulfur compounds such as 2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]disulfanyl]acetate, the carbamate functionality provides distinct reactivity patterns. Primary industrial applications include use as an intermediate in agrochemical synthesis, specialized pharmaceutical manufacturing, and research applications requiring selective enzyme inhibition. The compound's unique thiocarbamate structure makes it particularly valuable in developing products requiring specific biological target selectivity. OYSI maintains reliable supply chains for S-benzyl N,N-dipropylcarbamothioate to support European industrial customers' specialized chemical requirements.

Safety & Classification

Warning
Classification:

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

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H317

May cause an allergic skin reaction.

H411

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

Irritant

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameProsulfocarb (ISO)
Marine PollutantNo

Frequently Asked Questions

What is S-benzyl N,N-dipropylcarbamothioate?

S-benzyl N,N-dipropylcarbamothioate is an organic chemical compound with the molecular formula C14H21NOS and CAS number 52888-80-9. This carbamothioate derivative has a molecular weight of 251.39 g/mol and belongs to the class of thiocarbamate compounds. It is classified as a moderately hazardous substance with acute toxicity and skin sensitization properties, requiring careful handling in industrial and research applications.

What are the physicochemical properties of S-benzyl N,N-dipropylcarbamothioate?

S-benzyl N,N-dipropylcarbamothioate is an organic compound with a molecular weight of 251.39 g/mol and the chemical formula C14H21NOS. As a thiocarbamate derivative containing benzyl and dipropyl groups, it typically exists as a liquid or solid at room temperature. The compound contains sulfur and nitrogen functional groups that influence its chemical reactivity and solubility characteristics in various solvents.

What is S-benzyl N,N-dipropylcarbamothioate used for?

S-benzyl N,N-dipropylcarbamothioate is primarily used as an intermediate in chemical synthesis and research applications. Thiocarbamate compounds like this are commonly employed in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its specific molecular structure makes it valuable for organic synthesis reactions and as a building block for more complex chemical compounds in industrial and laboratory settings.

How to handle S-benzyl N,N-dipropylcarbamothioate safely?

S-benzyl N,N-dipropylcarbamothioate requires careful handling due to its Acute Tox. 4 and Skin Sens. 1 classifications. Workers must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation in work areas and avoid skin contact or inhalation. The substance displays GHS07 and GHS09 pictograms, indicating health and environmental hazards that require proper safety protocols.

How to store S-benzyl N,N-dipropylcarbamothioate correctly?

S-benzyl N,N-dipropylcarbamothioate should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and direct sunlight. Given its skin sensitization properties and environmental classification (Aquatic Chronic 2), storage areas must prevent environmental release. Keep containers properly labeled and segregated from incompatible materials. Regular inspection of storage containers is recommended to ensure integrity and prevent leakage.

What to do in case of contact with S-benzyl N,N-dipropylcarbamothioate?

In case of skin contact with S-benzyl N,N-dipropylcarbamothioate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes. If inhaled, move the person to fresh air. Given its Acute Tox. 4 and Skin Sens. 1 classifications, seek medical attention if symptoms develop or persist after exposure.

How to dispose of S-benzyl N,N-dipropylcarbamothioate appropriately?

S-benzyl N,N-dipropylcarbamothioate must be disposed of according to local and national hazardous waste regulations due to its toxicity and environmental impact classification. The substance should never be discharged into drains, soil, or water bodies given its Aquatic Chronic 2 classification. Contact licensed waste disposal companies for proper treatment and disposal. Empty containers should also be handled as hazardous waste following decontamination procedures.

How to transport S-benzyl N,N-dipropylcarbamothioate?

S-benzyl N,N-dipropylcarbamothioate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation for road transport. Vehicles must carry proper placarding and emergency information. Transport containers must be properly sealed and secured to prevent spillage during transit. Drivers require appropriate training for handling Class 9 dangerous goods.

Is S-benzyl N,N-dipropylcarbamothioate subject to specific regulations?

S-benzyl N,N-dipropylcarbamothioate is subject to European CLP regulation for classification, labeling, and packaging due to its hazard classifications. The substance falls under REACH regulation requiring registration for commercial use above certain tonnages. It is not currently listed as a SVHC (Substance of Very High Concern). Users must comply with occupational safety regulations and environmental protection requirements based on its toxicity and aquatic chronic toxicity classifications.

Where to buy S-benzyl N,N-dipropylcarbamothioate in Europe?

S-benzyl N,N-dipropylcarbamothioate is available through OYSI, a specialized European distributor of chemical products. OYSI provides reliable supply chains for industrial chemicals across Europe, ensuring proper handling, documentation, and regulatory compliance. As a professional chemical distributor, OYSI can provide technical support, safety data sheets, and regulatory guidance for this substance. Contact OYSI directly for availability, specifications, and ordering information.

Data Sources

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