3,5-Bis(trifluoromethyl)benzyl mercaptan

Base Information

• Chemical Name: 3,5-Bis(trifluoromethyl)benzyl mercaptan
• CAS No.: 158144-84-4
• Molecular Formula: C9H6F6S
• Molecular Weight: 260.203
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70375772
• Wikidata: Q82164448
• Mol file: 158144-84-4.mol

Synonyms:3,5-Bis(trifluoromethyl)benzyl mercaptan;158144-84-4;[3,5-bis(trifluoromethyl)phenyl]methanethiol;(3,5-bis(trifluoromethyl)phenyl)methanethiol;3,5-Bis(trifluoromethyl)benzylmercaptan;SCHEMBL8824381;DTXSID70375772;BGNFDRDLZOVTKY-UHFFFAOYSA-N;MFCD06798029;AKOS017559753;CS-0267992;EN300-1288062;J-009477

Chemical Property of 3,5-Bis(trifluoromethyl)benzyl mercaptan

Chemical Property:

• PSA: 38.80000
• LogP: 4.15400
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 260.00944034
• Heavy Atom Count: 16
• Complexity: 211

Purity/Quality:

98%min ^*data from raw suppliers

3,5-BIS(TRIFLUOROMETHYL)BENZYL MERCAPTAN 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CS

Technology Process of 3,5-Bis(trifluoromethyl)benzyl mercaptan

There total 1 articles about 3,5-Bis(trifluoromethyl)benzyl mercaptan 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:

thioacetic acid S-[3,5-bis(trifluoromethyl)benzyl] ester (158144-83-3) → (3,5-bis(trifluoromethyl)phenyl)methanethiol (158144-84-4)

Guidance literature:

With sodium methylate; In methanol; ethyl acetate; petrol;

Reference yield: 93.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + (3,5-bis(trifluoromethyl)phenyl)methanethiol (158144-84-4) → 1-((phenethylsulfinyl)methyl)-3,5-bis(trifluoromethyl)benzene

Guidance literature:

With oxygen; eosin y; In dichloromethane; at 20 ℃; for 62h; Irradiation;

DOI:10.1039/c7cc05672a

Reference yield: 65.0%

3-Iodoquinoline (79476-07-6) + (3,5-bis(trifluoromethyl)phenyl)methanethiol (158144-84-4) → 3-((3,5-bis(trifluoromethyl)benzyl)thio)quinoline

Guidance literature:

With copper(l) iodide; caesium carbonate; ethylene glycol; In isopropyl alcohol; at 170 ℃; for 0.25h; Inert atmosphere; Microwave irradiation;

DOI:10.1016/j.ejmech.2013.09.044

upstream raw materials:

thioacetic acid S-[3,5-bis(trifluoromethyl)benzyl] ester

Downstream raw materials:

molybdocene bis(S-3,5-bis(trifluoromethyl)benzyl thiol)

Refernces