2-Mercapto-6-methyl-4-(trifluoromethyl)nicotinonitrile

Base Information

Chemical Name:2-Mercapto-6-methyl-4-(trifluoromethyl)nicotinonitrile
CAS No.:182127-92-0
Molecular Formula:C8H5 F3 N2 S
Molecular Weight:218.202
Hs Code.:2933399090
European Community (EC) Number:863-769-9
DSSTox Substance ID:DTXSID10351373
Nikkaji Number:J1.057.319J
Wikidata:Q82127749
Mol file:182127-92-0.mol

Synonyms:182127-92-0;2-mercapto-6-methyl-4-(trifluoromethyl)nicotinonitrile;6-methyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile;6-methyl-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile;6-Methyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile;6-methyl-2-thioxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile;2-Mercapto-6-methyl-4-(trifluoromethyl)-nicotinonitrile;ChemDiv3_001417;SCHEMBL4888217;SCHEMBL19212167;SNXNHTJMLREHDW-UHFFFAOYSA-;DTXSID10351373;HMS1477A09;HMS1764K15;MFCD01313795;STK781896;STL099225;AKOS000268316;AKOS001634743;AS-5776;IDI1_020383;NCGC00324908-01;CS-0448639;FT-0612752;EN300-12228;AB00078621-01;AB01319477-02;A812654;AG-205/33138045;J-509776;2-Mercapto-6-methyl-4-(trifluoromethy)nicotinonitrile;Z85918841;3-cyano-6-methyl-4-trifluoromethylpyridine-2(1h)-thione;2-mercapto-6-methyl-4-(trifluoromethyl)nicotinonitrile, AldrichCPR;6-methyl-2-thioxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile;3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-thioxo-4-(trifluoromethyl)-;6-methyl-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile;InChI=1/C8H5F3N2S/c1-4-2-6(8(9,10)11)5(3-12)7(14)13-4/h2H,1H3,(H,13,14)

Suppliers and Price of 2-Mercapto-6-methyl-4-(trifluoromethyl)nicotinonitrile

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
2-Mercapto-6-methyl-4-(trifluoromethyl)nicotinonitrile
500mg
$ 200.00

Matrix Scientific
2-Mercapto-6-methyl-4-(trifluoromethyl)-nicotinonitrile 97%
1g
$ 267.00

Crysdot
2-Mercapto-6-methyl-4-(trifluoromethyl)nicotinonitrile 97%
5g
$ 496.00

Atlantic Research Chemicals
2-Mercapto-6-methyl-4-(trifluoromethyl)nicotinonitrile 95%
1gm:
$ 102.50

American Custom Chemicals Corporation
2-MERCAPTO-6-METHYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE 95.00%
1G
$ 692.46

American Custom Chemicals Corporation
2-MERCAPTO-6-METHYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE 95.00%
5G
$ 1114.58

American Custom Chemicals Corporation
2-MERCAPTO-6-METHYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE 95.00%
2.5G
$ 932.60

AK Scientific
2-Mercapto-6-methyl-4-(trifluoromethyl)-nicotinonitrile
250mg
$ 216.00

AK Scientific
2-Mercapto-6-methyl-4-(trifluoromethyl)-nicotinonitrile
100mg
$ 192.00

AK Scientific
2-Mercapto-6-methyl-4-(trifluoromethyl)-nicotinonitrile
5g
$ 808.00

Total 11 raw suppliers

Chemical Property of 2-Mercapto-6-methyl-4-(trifluoromethyl)nicotinonitrile

Chemical Property:

Vapor Pressure:0.263mmHg at 25°C
Melting Point:200 °C
Refractive Index:1.536
Boiling Point:204.4°Cat760mmHg
Flash Point:77.4°C
PSA：75.48000
Density:1.44g/cm³
LogP:2.56918
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:218.01255383
Heavy Atom Count:14
Complexity:395

Purity/Quality:

97% ^*data from raw suppliers

2-Mercapto-6-methyl-4-(trifluoromethyl)nicotinonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Hazard Codes:T
Statements: 36/37/38-25
Safety Statements: 26-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C(=S)N1)C#N)C(F)(F)F

Technology Process of 2-Mercapto-6-methyl-4-(trifluoromethyl)nicotinonitrile

There total 4 articles about 2-Mercapto-6-methyl-4-(trifluoromethyl)nicotinonitrile 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: 88.0%

: 7357-70-2
Cyanothioacetamide

: 367-57-7
1,1,1-Trifluoro-2,4-pentanedione

: 182127-92-0
6-methyl-2-thioxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile

Guidance literature:: With triethylamine; In ethanol; 1.) reflux, 2 min, 2.) 20 deg C, 6 h;
DOI:10.1007/BF02495655

Reference yield: 88.0%

: 7357-70-2
Cyanothioacetamide

5,5,5-trifluoro-4-hydroxy-pent-3-en-2-one: 144864-94-8
5,5,5-trifluoro-4-hydroxy-pent-3-en-2-one

: 182127-92-0
6-methyl-2-thioxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile

Guidance literature:: With triethylamine; In ethanol; a) reflux, 2 h, b) 20 deg C, 6 h;
DOI:10.1016/0040-4020(96)00632-1

Reference yield:

: 7357-70-2
Cyanothioacetamide

: 234112-44-8
4-methoxy-1,1,1-trifluoropent-3-en-2-one

: 182127-92-0
6-methyl-2-thioxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile

Guidance literature:: With potassium hydroxide; Yield given. Multistep reaction; 1.) EtOH, 20 deg C, 15 min, 2.) EtOH, 20 deg C, 10 min;
DOI:10.1016/0040-4020(96)00632-1