S-Ethyl trifluoroethanethioate

Basic Information

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CAS Number

383-64-2

Molecular Formula

C4H5F3OS

Molecular Weight

158.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

90°C

Refractive Index

n20/D 1.376(lit.)

SMILES

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CCSC(=O)C(F)(F)F

InChI

InChI=1S/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChIKey

VGGUKFAVHPGNBF-UHFFFAOYSA-N

LogP

1.8284

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

109

Safety Information

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GHS Hazard Pictograms

H225

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3.1 Class 3.1

Synonyms & References

English

S-Ethyl trifluoroethanethioate
SCHEMBL343124
NSC88936
Trifluorothioacetic acid S-ethyl ester
S-Ethylthioltrifluoroacetate
EtSCOCF3
1-(ethylsulfanyl)-2,2,2-trifluoroethan-1-one
AI3-52656
InChI=1/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H
T0872
Trifluoroacetonylmercaptoethanol
Ethylthiol trifluoroacetate
CS-0316038
NSC-88936
AKOS015892842
S-Ethyl trifluorothioacetate, 97%
S-Ethyl trifluorothioacetate
383-64-2
Acetic acid, S-ethyl ester
S-Ethylthiotrifluoroacetate
Ethyl trifluorothioacetate
Ethanethioic acid, 2,2,2-trifluoro-, S-ethyl ester
EINECS 206-852-1
Ethyl trifluorothiolacetate
MFCD00000421
DTXSID2059936
NS00041760
D92409
S-ethyl 2,2,2-trifluoroethanethioate
2,2,2-trifluoro-ethanethioic acid S-ethyl ester
NSC 88936

MDL Number

MFCD00000421

Customs Code

2930909090

FAQ

What are the physical and chemical properties of S-Ethyl trifluoroethanethioate (CAS: 383-64-2)?

S-Ethyl trifluoroethanethioate (CAS: 383-64-2) is a colorless to yellow liquid at room temperature. It has a molecular weight of approximately 172.12 g/mol and is slightly soluble in water but miscible with organic solvents. It is an unstable compound, showing reactivity towards nucleophiles and reducing agents.

How is S-Ethyl trifluoroethanethioate (CAS: 383-64-2) typically synthesized?

S-Ethyl trifluoroethanethioate is typically synthesized via the reaction of ethanethiol with trifluoroethanol in the presence of a base such as sodium hydride. The reaction is carried out under anhydrous conditions to ensure optimal yield and selectivity.

What industries use S-Ethyl trifluoroethanethioate (CAS: 383-64-2)?

S-Ethyl trifluoroethanethioate (CAS: 383-64-2) is primarily used in the pharmaceutical industry for the synthesis of certain drugs, as well as in the chemical industry for its reactivity in organic synthesis. It is also used in some electronic and semiconductor applications for specific chemical treatments.

What precautions should be taken when handling S-Ethyl trifluoroethanethioate (CAS: 383-64-2)?

When handling S-Ethyl trifluoroethanethioate (CAS: 383-64-2), it is essential to wear personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation of vapors. Proper spill containment and disposal procedures should be followed, and staff should be familiar with the safety data sheet (SDS) for emergency response.