[(difluoromethyl)thio]benzene

Base Information

Chemical Name:[(difluoromethyl)thio]benzene
CAS No.:1535-67-7
Molecular Formula:C7H6 F2 S
Molecular Weight:160.187
Hs Code.:2930909090
European Community (EC) Number:216-255-8
DSSTox Substance ID:DTXSID00165340
Nikkaji Number:J206.757I
Wikidata:Q83034492
Mol file:1535-67-7.mol

Synonyms:Sulfide,difluoromethyl phenyl (6CI,8CI); (Difluoromethylthio)benzene; Difluoromethylphenyl sulfide; Phenyl difluoromethyl sulfide

Suppliers and Price of [(difluoromethyl)thio]benzene

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

TRC
Difluoromethyl Phenyl Sulfide
50mg
$ 60.00

TCI Chemical
Difluoromethyl Phenyl Sulfide >98.0%(GC)
1g
$ 176.00

TCI Chemical
Difluoromethyl Phenyl Sulfide >98.0%(GC)
5g
$ 530.00

Apolloscientific
[(Difluoromethyl)sulfanyl]benzene 98%
5g
$ 791.00

Apolloscientific
[(Difluoromethyl)sulfanyl]benzene 98%
1g
$ 276.00

Ambeed
Difluoromethyl Phenyl Sulfide 98%GC
25g
$ 1580.00

Ambeed
Difluoromethyl Phenyl Sulfide 98%GC
1g
$ 98.00

Ambeed
Difluoromethyl Phenyl Sulfide 98%GC
250mg
$ 30.00

Ambeed
Difluoromethyl Phenyl Sulfide 98%GC
5g
$ 358.00

AK Scientific
PHENYLDIFLUOROMETHYLSULFIDE
1g
$ 303.20

Total 19 raw suppliers

Chemical Property of [(difluoromethyl)thio]benzene

Chemical Property:

Vapor Pressure:4.82mmHg at 25°C
Refractive Index:1.5090 to 1.5130
Boiling Point:150.8°Cat760mmHg
Flash Point:45°C
PSA：25.30000
Density:1.21g/cm³
LogP:3.00130
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:160.01582769
Heavy Atom Count:10
Complexity:89.6

Purity/Quality:

97% ^*data from raw suppliers

Difluoromethyl Phenyl Sulfide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)SC(F)F
General Description [(Difluoromethyl)thio]benzene, also known as phenyl difluoromethyl sulfide or difluoromethyl phenyl sulfide, is a compound where the difluoromethylthio group (–SCF₂H) is attached to a benzene ring. The difluoromethyl group (–CF₂H) in this context acts as a lipophilic hydrogen bond donor, exhibiting hydrogen bond acidity comparable to thiophenol or aniline but weaker than hydroxyl groups. While it enhances lipophilicity, its effect on log P values is modest, ranging from slightly negative to moderately positive. This group is of interest in medicinal chemistry as a bioisostere for hydroxyl, thiol, or amine moieties, aiding in the rational design of drug molecules. [(difluoromethyl)thio]benzene can be synthesized through methods such as radical chain fluoroalkylation of arenethiolates or direct S-difluoromethylation of thiols using reagents like CF₂Br₂ or the Ruppert-Prakash reagent (TMSCF₃).

Technology Process of [(difluoromethyl)thio]benzene

There total 45 articles about [(difluoromethyl)thio]benzene 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: 97.0%

: 65094-22-6
diethyl (bromodifluoromethyl)phosphonate

: 108-98-5
thiophenol

: 1535-67-7
difluoromethyl phenyl sulfide

Guidance literature:: thiophenol; With potassium hydroxide; phenol; In water; acetonitrile; at 0 ℃; for 0.25h; Sealed tube;

diethyl (bromodifluoromethyl)phosphonate; In water; acetonitrile; at 0 - 20 ℃; chemoselective reaction; Sealed tube;
DOI:10.1016/j.jfluchem.2021.109867

Reference yield: 94.0%

: 875-79-6
1,2-dimethylindole

: 1895-39-2
sodium chlorodifluoroacetate

: 108-98-5
thiophenol

: 1535-67-7
difluoromethyl phenyl sulfide

: 1620097-93-9
2-chloro-1-(1,2-dimethyl-1H-indol-3-yl)-2,2-difluoroethan-1-one

Guidance literature:: In N,N-dimethyl-formamide; at 90 ℃; for 16h; Inert atmosphere;
DOI:10.1021/ol501854q

Reference yield: 88.0%

: 1895-39-2
sodium chlorodifluoroacetate

: 108-98-5
thiophenol

: 1535-67-7
difluoromethyl phenyl sulfide

Guidance literature:: sodium chlorodifluoroacetate; With potassium carbonate; for 1h; Inert atmosphere;

thiophenol; In N,N-dimethyl-formamide; at 95 ℃; for 0.25h; Inert atmosphere;
DOI:10.1039/c7cc02652h