2-Mercapto-5-(trifluoromethyl)pyridine

Base Information

Chemical Name:2-Mercapto-5-(trifluoromethyl)pyridine
CAS No.:76041-72-0
Molecular Formula:C6H4F3NS
Molecular Weight:179.166
Hs Code.:2933399090
European Community (EC) Number:626-726-3
DSSTox Substance ID:DTXSID60226946
Nikkaji Number:J2.010.954H
Mol file:76041-72-0.mol

Synonyms:76041-72-0;2-Mercapto-5-(trifluoromethyl)pyridine;5-(Trifluoromethyl)pyridine-2(1H)-thione;5-(trifluoromethyl)pyridine-2-thiol;2-mercapto-5-trifluoromethylpyridine;5-(trifluoromethyl)-1H-pyridine-2-thione;2(1H)-Pyridinethione, 5-(trifluoromethyl)-;5-(Trifluoromethyl)-2-pyridinethiol;5-(Trifluoromethyl)-2(1H)-pyridinethione;5-TRIFLUOROMETHYL-2-THIO-PYRIDONE;5-trifluoromethyl-pyridine-2-thiol;MFCD00128893;C6H4F3NS;5-(Trifluoromethyl)-2-mercaptopyridine;SCHEMBL596858;DTXSID60226946;YFSCXLSUZZXNHW-UHFFFAOYSA-O;5-trifluoromethylpyridine-2-thione;HMS1751I21;5-(trifluoromethyl)-2-thiopyridine;AMY31477;BBL100649;STL554443;AKOS000122972;AKOS016008681;AB03617;CS-W017281;FS-1129;NCGC00323286-01;AC-24901;5-(Trifluoromethyl)pyridine-2-thiol, 97%;A9649;FT-0612745;M2299;EN300-12420;H10801;AB01107795-03;5-(trifluoromethyl)-1,2-dihydropyridine-2-thione;J-509769;Z57114627;5-CHLORO-2-(METHYLSULFONYL)PYRIMIDINE-4-CARBOXYLICACID

Suppliers and Price of 2-Mercapto-5-(trifluoromethyl)pyridine

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

TCI Chemical
2-Mercapto-5-(trifluoromethyl)pyridine >98.0%(HPLC)(T)
25g
$ 345.00

TCI Chemical
2-Mercapto-5-(trifluoromethyl)pyridine >98.0%(HPLC)(T)
5g
$ 70.00

SynQuest Laboratories
2-Mercapto-5-(trifluoromethyl)pyridine 95%
5 g
$ 15.00

SynQuest Laboratories
2-Mercapto-5-(trifluoromethyl)pyridine 95%
25 g
$ 65.00

SynQuest Laboratories
2-Mercapto-5-(trifluoromethyl)pyridine 95%
100 g
$ 225.00

Sigma-Aldrich
5-(Trifluoromethyl)pyridine-2-thiol 97%
5g
$ 113.00

Sigma-Aldrich
5-(Trifluoromethyl)pyridine-2-thiol 97%
1g
$ 42.00

Matrix Scientific
2-Mercapto-5-(trifluoromethyl)pyridine 95+%
5g
$ 17.00

Matrix Scientific
2-Mercapto-5-(trifluoromethyl)pyridine 95+%
25g
$ 68.00

Crysdot
5-(Trifluoromethyl)pyridine-2(1H)-thione 97%
100g
$ 238.00

Total 56 raw suppliers

Chemical Property of 2-Mercapto-5-(trifluoromethyl)pyridine

Chemical Property:

Vapor Pressure:0.019mmHg at 25°C
Melting Point:154-159 °C(lit.)
Refractive Index:1.505
Boiling Point:143.5 °C at 760 mmHg
PKA:8.33±0.40(Predicted)
Flash Point:40.6 °C
PSA：51.69000
Density:1.43 g/cm³
LogP:2.38910
Storage Temp.:2-8°C
Solubility.:soluble in Methanol
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:179.00165479
Heavy Atom Count:11
Complexity:239

Purity/Quality:

99%, ^*data from raw suppliers

2-Mercapto-5-(trifluoromethyl)pyridine >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=S)NC=C1C(F)(F)F
Uses Reactant used to synthesize anti-tumor agents and HIV protease inhibitors. 2-MERCAPTO-5-(TRIFLUOROMETHYL)PYRIDINE Reactants used to synthesize anti-tumor agents and HIV protease inhibitors.

Technology Process of 2-Mercapto-5-(trifluoromethyl)pyridine

There total 5 articles about 2-Mercapto-5-(trifluoromethyl)pyridine 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: 60.0%

: 52334-81-3
2-chloro-5-trifluoromethylpyridine

: 76041-72-0
2-mercapto-5-trifluoromethylpyridine

Guidance literature:: 2-chloro-5-trifluoromethylpyridine; With thiourea; In ethanol; at 20 ℃; for 2h; Heating / reflux;

With potassium hydroxide; water; In ethanol; at 20 ℃; for 2h; Heating / reflux;

With sodium hydroxide; acetic acid; In ethanol; dichloromethane;

Reference yield:

: 69045-78-9
2-chloro-5-(Trichloromethyl)-pyridine

: 76041-72-0
2-mercapto-5-trifluoromethylpyridine

Guidance literature:: Multi-step reaction with 2 steps

1: 54.5 percent / antimony trifluoride / 0.17 h / Heating

2: 1) thiourea, 2) KOH, water / 1) ethanol, reflux, 3h, 2) ethanol, reflux, 1h

With potassium hydroxide; water; antimony(III) fluoride; thiourea;