(3,5-Difluorophenyl)methanethiol

Base Information

• Chemical Name: (3,5-Difluorophenyl)methanethiol
• CAS No.: 358358-66-4
• Molecular Formula: C7H6F2S
• Molecular Weight: 160.1843464
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID40375769
• Wikidata: Q82164443
• Mol file: 358358-66-4.mol

Synonyms:(3,5-difluorophenyl)methanethiol;358358-66-4;3,5-Difluorobenzyl mercaptan;MFCD06798021;BENZENEMETHANETHIOL, 3,5-DIFLUORO-;3,5-Difluorobenzylmercaptan;SCHEMBL3297905;DTXSID40375769;GEO-01069;AKOS005257687;3,5-difluorobenzyl mercaptan, AldrichCPR;EN300-1236587;A918575

Chemical Property of (3,5-Difluorophenyl)methanethiol

Chemical Property:

• PSA: 38.80000
• LogP: 2.39460
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.01582769
• Heavy Atom Count: 10
• Complexity: 97.8

Purity/Quality:

97% ^*data from raw suppliers

3,5-Difluorobenzylmercaptan 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)F)CS

Technology Process of (3,5-Difluorophenyl)methanethiol

There total 1 articles about (3,5-Difluorophenyl)methanethiol 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:

methanethiosulfonic acid S-methyl ester (2949-92-0,31761-75-8) + 3,5-difluorobromobenzene (461-96-1) → (3,5-difluorophenyl)methylsulfide (358358-66-4)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; diethyl ether; hexane;

Reference yield:

(3,5-difluorophenyl)methylsulfide (358358-66-4) → (3,5-difluorophenyl)methyl sulfone

Guidance literature:

In methanol; I₅C; water;

upstream raw materials:

methanethiosulfonic acid S-methyl ester

3,5-difluorobromobenzene