Bis(trifluoromethyl)thioketene

Base Information

• Chemical Name: Bis(trifluoromethyl)thioketene
• CAS No.: 7445-60-5
• Molecular Formula: C4F6S
• Molecular Weight: 194.1
• DSSTox Substance ID: DTXSID10225464
• Nikkaji Number: J2.677.575B
• Wikidata: Q83104437
• Mol file: 7445-60-5.mol

Synonyms:Bis(trifluoromethyl)thioketene;7445-60-5;(CF3)2C=C=S;SCHEMBL20972840;DTXSID10225464;IXCNXWOYJYTCCJ-UHFFFAOYSA-N;1-Propene-1-thione, 3,3,3-trifluoro-2-(trifluoromethyl)-

Chemical Property of Bis(trifluoromethyl)thioketene

Chemical Property:

• Vapor Pressure: 8.74mmHg at 25°C
• Boiling Point: 137.4°Cat760mmHg
• Flash Point: 36.9°C
• Density: 1.481g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 193.96249015
• Heavy Atom Count: 11
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(=C(C(F)(F)F)C(F)(F)F)=S

Technology Process of Bis(trifluoromethyl)thioketene

There total 4 articles about Bis(trifluoromethyl)thioketene 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:

2,4-bis(hexafluoroisopropylidene)-1,3-dithiethane (7445-61-6) → bis(trifluoromethyl)thioketene (7445-60-5)

Guidance literature:

at 750 ℃; under 1 Torr;

DOI:10.1021/jo00835a064

Reference yield:

perfluoro-5,10-dithiadispiro{3,1,3,1}decane → bis(trifluoromethyl)thioketene (7445-60-5)

Guidance literature:

475-600°C;

DOI:10.1021/jo01016a008

Reference yield:

bis{bis(trifluormethyl)thioketene}hexacarbonyl-diiron (125965-37-9) → bis(trifluoromethyl)thioketene (7445-60-5) + {bis(trifluormethyl)thioketene}-hexacaebonyl-diiron (125939-69-7)

Guidance literature:

(N2); no fragmentation observed;;

DOI:10.1016/0022-328X(89)88030-1

upstream raw materials:

2,4-bis(hexafluoroisopropylidene)-1,3-dithiethane

bis{bis(trifluormethyl)thioketene}hexacarbonyl-diiron

Downstream raw materials:

2-Methyl-thioacrylic acid S-(3,3,3-trifluoro-2-trifluoromethyl-propenyl) ester

[Methoxy-(3,3,3-trifluoro-2-trifluoromethyl-propenylsulfanyl)-methyl]-benzene

3-phenyl-5-(2,2,2-trifluoro-1-trifluoromethyl-ethylidene)-[1,4,2]oxathiazole

2-(4-chloro-phenyl)-5-(2,2,2-trifluoro-1-trifluoromethyl-ethylidene)-2,5-dihydro-[1,2,3,4]thiatriazole