2,2,2-Trifluoroethanethiol

Base Information

Chemical Name:2,2,2-Trifluoroethanethiol
CAS No.:1544-53-2
Molecular Formula:C2H3 F3 S
Molecular Weight:116.107
Hs Code.:2930909090
European Community (EC) Number:628-742-6
DSSTox Substance ID:DTXSID30399717
Nikkaji Number:J667.260D
Wikidata:Q82202415
Mol file:1544-53-2.mol

Synonyms:2,2,2-trifluoroethanethiol

Suppliers and Price of 2,2,2-Trifluoroethanethiol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
2,2,2-Trifluoroethanethiol 95%
10g
$ 317.00

Sigma-Aldrich
2,2,2-Trifluoroethanethiol 95%
1g
$ 58.20

American Custom Chemicals Corporation
2,2,2-TRIFLUOROETHANETHIOL 95.00%
10G
$ 1389.20

American Custom Chemicals Corporation
2,2,2-TRIFLUOROETHANETHIOL 95.00%
1G
$ 662.53

Total 57 raw suppliers

Chemical Property of 2,2,2-Trifluoroethanethiol

Chemical Property:

Vapor Pressure:7.85 psi ( 20 °C)
Melting Point:51.3-52.3 °C
Refractive Index:n20/D 1.352(lit.)
Boiling Point:34-35 °C(lit.)
PKA:7.60±0.10(Predicted)
Flash Point:−11 °F
PSA：38.80000
Density:1.305 g/mL at 25 °C(lit.)
LogP:1.47850
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:115.99075576
Heavy Atom Count:6
Complexity:38.5

Purity/Quality:

99%, ^*data from raw suppliers

2,2,2-Trifluoroethanethiol 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:F+,Xn
Statements: 12-20/21/22-36/37/38
Safety Statements: 16-33-38

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(C(F)(F)F)S
General Description 2,2,2-Trifluoroethanethiol (TFET) is a thiol derivative characterized by its strong electron-withdrawing trifluoromethyl group, which significantly influences its acidity and reactivity. Experimental and theoretical studies reveal that TFET exhibits notable gas-phase acidity and basicity, with its deprotonation and protonation behaviors thoroughly analyzed. 2,2,2-TRIFLUOROETHANETHIOL forms 1:1 associations with Lewis bases and acids in solution, demonstrating its versatile reactivity. Quantum-mechanical analyses further highlight the structural and electronic effects of the trifluoromethyl group on TFET's properties, distinguishing it from non-fluorinated analogs like ethanethiol. These findings underscore TFET's unique reactivity profile, driven by the interplay of fluorine substitution and thiol functionality.

Technology Process of 2,2,2-Trifluoroethanethiol

There total 16 articles about 2,2,2-Trifluoroethanethiol 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: 95.0%