S-Ethyl dipropylcarbamothioate

Basic Information

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CAS Number

759-94-4

Molecular Formula

C9H19NOS

Molecular Weight

189.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

25°C

Boiling Point

127 ºC (20 torr)

Density

0.95

Water Solubility

0.375 g/100 mL

Refractive Index

nD30 1.4750

SMILES

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CCCN(CCC)C(=O)SCC

InChI

InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3

InChIKey

GUVLYNGULCJVDO-UHFFFAOYSA-N

LogP

2.9815000000000014

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

122

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Stability

Stable. Incompatible with strong oxidizing agents.

Toxicity

LD50 orally in rats: 1631 mg/kg (Antognini)

Synonyms & References

English

EPTC
EPTC-d14 (dipropyl-d14)
ERADICANE
Nitrogen Containing Pesticides Mix #2
S-ethyl N,N-dipropylcarbamothioate
S-Ethyldipropylthiocarbamate
S-Ethyldipropylthiocarbamate Solution
Alirox
EPTAM
Eptam 6E
EPTC-d14 (dipropyl-d14)100µg
ethyl dipropylthiocarbamate
S-ethyl dipropyl(thiocarbamate)
S-ethyl dipropylcarbamothioate
S-ethyl N,N-di-n-propylthiocarbamate
S-Ethyl-N,N-dipropylthiocarbamate
Stauffer R 1608
Torbin
Safener EPTC
Dichlormid EPTC
S-Ethyl dipropylthiocarbamate
Eptam
S-Ethyl dipropylcarbamothioate

MDL Number

MFCD00053780

Customs Code

29341000

FAQ

What are the physical and chemical properties of S-Ethyl dipropylcarbamothioate (CAS: 759-94-4)?

S-Ethyl dipropylcarbamothioate (CAS: 759-94-4) is a colorless to pale yellow liquid with a molecular weight of approximately 237.37 g/mol. It is poorly soluble in water but soluble in organic solvents like ethyl acetate and dichloromethane. Chemically, it is reactive towards nucleophiles and can form stable ester derivatives under certain conditions.

How is S-Ethyl dipropylcarbamothioate (CAS: 759-94-4) typically synthesized?

S-Ethyl dipropylcarbamothioate is typically synthesized by the reaction of diisopropyl carbamate with ethanethiol, followed by a propylation step. This can be achieved using potassium carbonate as a base, with high yield and good selectivity. The reaction is conducted in an aprotic solvent like dimethylformamide (DMF) to facilitate the nucleophilic substitution process.

What industries use S-Ethyl dipropylcarbamothioate (CAS: 759-94-4)?

S-Ethyl dipropylcarbamothioate (CAS: 759-94-4) is used in the pharmaceutical industry for synthesis of certain drugs, in the polymer industry as a modifier, and in the sensor industry for detection applications. Its use in semiconductors and other high-tech applications is limited due to its reactivity and potential toxicity.

What precautions should be taken when handling S-Ethyl dipropylcarbamothioate (CAS: 759-94-4)?

When handling S-Ethyl dipropylcarbamothioate (CAS: 759-94-4), wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation. Spills should be neutralized with a suitable acid or base, then cleaned up using absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency response procedures.