2-Mercapto-6-methylnicotinonitrile

Base Information

Chemical Name:2-Mercapto-6-methylnicotinonitrile
CAS No.:3395-04-8
Molecular Formula:C7H6N2S
Molecular Weight:150.204
Hs Code.:2933399090
DSSTox Substance ID:DTXSID30352327
Nikkaji Number:J1.226.589A
Wikidata:Q82129398
Mol file:3395-04-8.mol

Synonyms:2-mercapto-6-methylnicotinonitrile;3395-04-8;6-Methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile;2-mercapto-3-cyano-6-methyl pyridine;6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile;2-Mercapto-6-methyl-nicotinonitrile;6-methyl-2-sulfanylpyridine-3-carbonitrile;SCHEMBL6190450;DTXSID30352327;AYJDNDNJGGAULS-UHFFFAOYSA-N;2-mercapto-3-cyano-6-methylpyridine;2-methyl-5-cyano-6-mercaptopyridine;MFCD00507869;STK355997;STL504724;AKOS001079003;AKOS003676682;3-cyano-6-methylpyridine-2(1 h)-thione;BB 0219231;Z85940476;6-methyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile

Suppliers and Price of 2-Mercapto-6-methylnicotinonitrile

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

Matrix Scientific
6-Methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
1g
$ 300.00

Matrix Scientific
6-Methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
0.500g
$ 240.00

Chemcia Scientific
2-Mercapto-6-methyl-nicotinonitrile 95%
5 G
$ 860.00

Acrotein
2-Mercapto-6-methylnicotinonitrile 97%
5g
$ 712.50

Total 6 raw suppliers

Chemical Property of 2-Mercapto-6-methylnicotinonitrile

Chemical Property:

Melting Point:235 °C (decomp)(Solv: acetic acid (64-19-7))
Boiling Point:240.2±43.0 °C(Predicted)
PKA:7.79±0.60(Predicted)
PSA：75.48000
Density:1.26±0.1 g/cm3(Predicted)
LogP:1.55038
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:150.02516937
Heavy Atom Count:10
Complexity:277

Purity/Quality:

95% ^*data from raw suppliers

6-Methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Mercapto-6-methylnicotinonitrile

There total 2 articles about 2-Mercapto-6-methylnicotinonitrile 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: 68.0%

: 7357-70-2
Cyanothioacetamide

: 42731-40-8
3-oxo-butyraldehyde; sodium (Z)-1-enolate

: 3395-04-8
6-methyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile

Guidance literature:: With piperdinium acetate; In water; for 0.166667h; Heating;
DOI:10.1080/07328319908044886

Reference yield:

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 7357-70-2
Cyanothioacetamide

: 67-64-1
acetone

: 3395-04-8
6-methyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile

Guidance literature:: formaldehyd; acetone; With potassium hydroxide; In methanol;

Cyanothioacetamide; In methanol;
DOI:10.1016/j.bmc.2016.11.041