S-Ethyl trifluorothioacetate

Base Information

• Chemical Name: S-Ethyl trifluorothioacetate
• CAS No.: 383-64-2
• Molecular Formula: C4H5F3OS
• Molecular Weight: 158.144
• Hs Code.: 2930909090
• European Community (EC) Number: 206-852-1
• NSC Number: 88936
• DSSTox Substance ID: DTXSID2059936
• Nikkaji Number: J41.437I
• Wikidata: Q81989006
• Mol file: 383-64-2.mol

Synonyms:ethylthiol trifluoroacetate;S-ethylthiotrifluoroacetate;S-ethyltrifluorothioacetate;SETFA

Chemical Property of S-Ethyl trifluorothioacetate

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Refractive Index: n20/D 1.376(lit.)
• Boiling Point: 90.5 °C(lit.)
• Flash Point: 39 °F
• PSA: 42.37000
• Density: 1.234 g/mL at 25 °C(lit.)
• LogP: 1.82840
• Storage Temp.: Store at RT.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 158.00132044
• Heavy Atom Count: 9
• Complexity: 109

Purity/Quality:

98% ^*data from raw suppliers

S-Ethyl Trifluorothioacetate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC(=O)C(F)(F)F
• Uses: S-Ethyl trifluorothioacetate was used to selectively trifluoroacetylate amino groups in proteins.

Technology Process of S-Ethyl trifluorothioacetate

There total 4 articles about S-Ethyl trifluorothioacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 49.0%

ethene (74-85-1) + trifluorothioacetic acid (2925-25-9) → S-ethyl trifluoroacetate (383-64-2)

Guidance literature:

DOI:10.1016/S0022-1139(00)83227-3

Reference yield:

trifluoroacetic anhydride (407-25-0) + ethanethiol (75-08-1) → S-ethyl trifluoroacetate (383-64-2)

Guidance literature:

DOI:10.1139/v74-457 DOI:10.1021/ja01136a010

Reference yield:

trifluoracetyl chloride (354-32-5) + ethanethiol (75-08-1) → S-ethyl trifluoroacetate (383-64-2)

Guidance literature:

DOI:10.1021/ja01136a010

upstream raw materials:

trifluoroacetic anhydride

ethanethiol

trifluoracetyl chloride

ethene

Downstream raw materials:

N-trifluoroacetyl-DL-methionine

N^α-Trifluoracetyl-L-ornithin

N⁵-trifluoroacetyl-L-ornithine

N-Trifluoracetyl-L-asparagin