2-Mercapto-4,5,6-trimethylnicotinonitrile

Base Information

Chemical Name:2-Mercapto-4,5,6-trimethylnicotinonitrile
CAS No.:128917-84-0
Molecular Formula:C9H10 N2 S
Molecular Weight:178.258
Hs Code.:2933399090
European Community (EC) Number:814-190-5
NSC Number:666320
DSSTox Substance ID:DTXSID50350603
Nikkaji Number:J525.952E
Mol file:128917-84-0.mol

Synonyms:2-Mercapto-4,5,6-trimethylnicotinonitrile;128917-84-0;4,5,6-trimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile;NSC666320;4,5,6-trimethyl-2-sulfanylpyridine-3-carbonitrile;2-mercapto-4,5,6-trimethylpyridine-3-carbonitrile;4,5,6-trimethyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile;4,5,6-trimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile;2-mercapto-4,5,6-trimethyl-nicotinonitrile;3-Pyridinecarbonitrile,1,2-dihydro-4,5,6-trimethyl-2-thioxo-;SCHEMBL3174550;DTXSID50350603;PLYXVRVYCQKRHS-UHFFFAOYSA-N;CCG-1567;MFCD00052657;STK750560;AKOS000117420;AKOS000265006;FS-1749;NSC-666320;2-Mercapto-4,5,6-trimethyl nicotinonitrile;CS-0279552;FT-0643099;EN300-11503;2-thioxo-4,5,6-trimethylpyridine-3-carbonitrile;AE-848/32950052;SR-01000393192;4,5,6-trimethyl-2-sulfanyl-pyridine-3-carbonitrile;SR-01000393192-1;Z57048953

Suppliers and Price of 2-Mercapto-4,5,6-trimethylnicotinonitrile

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-4,5,6-trimethylnicotinonitrile
500mg
$ 130.00

SynQuest Laboratories
2-Mercapto-4,5,6-trimethylnicotinonitrile
1 g
$ 229.00

SynQuest Laboratories
2-Mercapto-4,5,6-trimethylnicotinonitrile
25 g
$ 1973.00

SynQuest Laboratories
2-Mercapto-4,5,6-trimethylnicotinonitrile
5 g
$ 570.00

Matrix Scientific
2-Mercapto-4,5,6-trimethylnicotinonitrile 98%
1g
$ 94.00

Matrix Scientific
2-Mercapto-4,5,6-trimethylnicotinonitrile 98%
500mg
$ 61.00

Matrix Scientific
2-Mercapto-4,5,6-trimethylnicotinonitrile 98%
5g
$ 340.00

Crysdot
2-Mercapto-4,5,6-trimethylnicotinonitrile 95+%
5g
$ 312.00

Alichem
2-Mercapto-4,5,6-trimethylnicotinonitrile
5g
$ 340.20

AK Scientific
2-Mercapto-4,5,6-trimethylnicotinonitrile
5g
$ 509.00

Total 15 raw suppliers

Chemical Property of 2-Mercapto-4,5,6-trimethylnicotinonitrile

Chemical Property:

Vapor Pressure:0.0125mmHg at 25°C
Melting Point:276oC
Boiling Point:260.1 °C at 760 mmHg
Flash Point:111.1 °C
PSA：75.48000
Density:1.17 g/cm³
LogP:2.16718
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:178.05646950
Heavy Atom Count:12
Complexity:352

Purity/Quality:

98%min ^*data from raw suppliers

2-Mercapto-4,5,6-trimethylnicotinonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(NC(=S)C(=C1C)C#N)C

Technology Process of 2-Mercapto-4,5,6-trimethylnicotinonitrile

There total 4 articles about 2-Mercapto-4,5,6-trimethylnicotinonitrile 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: 94.0%

: 7357-70-2
Cyanothioacetamide

: 815-57-6
3-Methyl-2,4-pentanedione

: 128917-84-0
4,5,6-trimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile

Guidance literature:: With sodium ethanolate; In ethanol; for 3h; Heating;

Reference yield: 79.0%

: 13809-02-4
4-(but-2-en-2-yl)morpholine

: 7357-70-2
Cyanothioacetamide

: 75-07-0,9002-91-9
acetaldehyde

: 128917-84-0
4,5,6-trimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile

Guidance literature:: Cyanothioacetamide; acetaldehyde; With triethylamine; In ethanol; at 20 ℃; for 0.5h;

4-(but-2-en-2-yl)morpholine; In ethanol; for 25h;
DOI:10.1134/S107042801511010X

Reference yield:

: 91591-64-9
2-chloro-4,5,6-trimethylpyridine-3-carbonitrile

: 128917-84-0
2-mercapto-4,5,6-trimethyl-nicotinonitrile

Guidance literature:: With sodium sulfide; In tert-butyl alcohol; at 150 ℃; for 0.333333h; Microwave irradiation;
DOI:10.1016/j.bmcl.2008.11.093