Isothiazolo(4',5':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)-

Base Information

Chemical Name:Isothiazolo(4',5':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)-
CAS No.:135489-10-0
Molecular Formula:C13H6ClFN4S3
Molecular Weight:368.8599
Hs Code.:
DSSTox Substance ID:DTXSID80159409
Wikidata:Q83027732

Synonyms:BRN 4271172;Isothiazolo(4',5':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)-;4-Chloro-8-(((4-fluorophenyl)methyl)thio)isothiazolo(4',5':4,5)thieno(3,2-d)-1,2,3-triazine;135489-10-0;C13H6ClFN4S3;DTXSID80159409;LS-86367

Suppliers and Price of Isothiazolo(4',5':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((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 Isothiazolo(4',5':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)-

Chemical Property:

Boiling Point:503.9°Cat760mmHg
Flash Point:258.6°C
Density:1.71g/cm³
XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:367.9427156
Heavy Atom Count:22
Complexity:402

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CSC2=NSC3=C2C4=C(S3)C(=NN=N4)Cl)F

Technology Process of Isothiazolo(4',5':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((4-fluorophenyl)methyl)thio)-

There total 3 articles about Isothiazolo(4',5':4,5)thieno(3,2-d)-1,2,3-triazine, 4-chloro-8-(((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: 80.0%

: 135518-34-2
4-Amino-3-(4-fluoro-benzylsulfanyl)-thieno[3,2-d]isothiazole-5-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:: With hydrogenchloride; sodium nitrite; In acetic acid; for 2h;

Reference yield:

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

: 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 3 steps

2: 45 percent / EtONa

3: 80 percent / NaNO₂, HCl / acetic acid / 2 h

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

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;