4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(((4-fluorophenyl)methyl)thio)-

Base Information

Chemical Name:4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(((4-fluorophenyl)methyl)thio)-
CAS No.:135489-20-2
Molecular Formula:C₁₃H₈FN₃S₃
Molecular Weight:321.423
Hs Code.:
DSSTox Substance ID:DTXSID30159419
Wikidata:Q83027745
Mol file:135489-20-2.mol

Synonyms:BRN 4267050;4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(((4-fluorophenyl)methyl)thio)-;5-((Cyanomethyl)thio)-3-(((4-fluorophenyl)methyl)thio)-4-isothiazolecarbonitrile;135489-20-2;DTXSID30159419;LS-86272

Suppliers and Price of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(((4-fluorophenyl)methyl)thio)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(((4-fluorophenyl)methyl)thio)-

Chemical Property:

Vapor Pressure:3.33E-07mmHg at 25°C
Boiling Point:418.2°Cat760mmHg
Flash Point:206.7°C
Density:1.47g/cm³
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:320.98643895
Heavy Atom Count:20
Complexity:408

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CSC2=NSC(=C2C#N)SCC#N)F

Technology Process of 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(((4-fluorophenyl)methyl)thio)-

There total 1 articles about 4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(((4-fluorophenyl)methyl)thio)- 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:

: 4-Cyano-3-(4-fluoro-benzylsulfanyl)-isothiazole-5-thiol anion

: 135489-20-2
5-Cyanomethylsulfanyl-3-(4-fluoro-benzylsulfanyl)-isothiazole-4-carbonitrile

Guidance literature:: Yield given;

Reference yield: 45.0%

: 135489-20-2
5-Cyanomethylsulfanyl-3-(4-fluoro-benzylsulfanyl)-isothiazole-4-carbonitrile

: 135518-34-2
4-Amino-3-(4-fluoro-benzylsulfanyl)-thieno[3,2-d]isothiazole-5-carbonitrile

Guidance literature:: With sodium ethanolate;

Reference yield:

: 135489-20-2
5-Cyanomethylsulfanyl-3-(4-fluoro-benzylsulfanyl)-isothiazole-4-carbonitrile

: 135489-10-0
4-Chloro-8-(4-fluoro-benzylsulfanyl)-isothiazolo[4',5':4,5]thieno[3,2-d][1,2,3]triazine

Guidance literature:: Multi-step reaction with 2 steps

1: 45 percent / EtONa

2: 80 percent / NaNO₂, HCl / acetic acid / 2 h

With hydrogenchloride; sodium ethanolate; sodium nitrite; In acetic acid;