3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-

Base Information

Chemical Name:3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-
CAS No.:134793-48-9
Molecular Formula:C11H5F3N4OS
Molecular Weight:298.2438
Hs Code.:
NSC Number:623094
UNII:R7W924WH4Q
DSSTox Substance ID:DTXSID80158952
Nikkaji Number:J370.062C
ChEMBL ID:CHEMBL2005082

Synonyms:NSC623094;134793-48-9;3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-;NSC 623094;NSC-623094;1-Trifluoroacetyl-(2,3-e)(3-mercapto-1,2,4-triazin)indole;1-Trifluoroacetyl-[2,3-e](3-mercapto-1,2,4-triazin)indole;3H-1,2,4-Triazino[5,6-b]indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-;R7W924WH4Q;CHEMBL2005082;DTXSID80158952;NCI60_006884;5-(Trifluoroacetyl)-5H-1,2,4-triazino[5,6-b]indole-3-thiol;1-(2,3-Dihydro-3-thioxo-5H-1,2,4-triazino[5,6-b]indol-5-yl)-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-(3-sulfanyl-[1,2,4]triazino[5,6-b]indol-5-yl)ethanone;2,2,2-trifluoro-1-{3-sulfanyl-5H-[1,2,4]triazino[5,6-b]indol-5-yl}ethan-1-one;Ethanone, 1-(2,3-dihydro-3-thioxo-5H-1,2,4-triazino[5,6-b]indol-5-yl)-2,2,2-trifluoro-

Suppliers and Price of 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-

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
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price

Total 1 raw suppliers

Chemical Property of 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-

Chemical Property:

Vapor Pressure:7.35E-05mmHg at 25°C
Boiling Point:342.8°Cat760mmHg
Flash Point:161.1°C
Density:1.76g/cm³
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:0
Exact Mass:298.01361646
Heavy Atom Count:20
Complexity:542

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C3=NNC(=S)N=C3N2C(=O)C(F)(F)F

Technology Process of 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-

There total 2 articles about 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)- 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: 90.0%

: 134793-40-1
3-thioxo-6-(2-trifluoroacetamidophenyl)-1,2,4-triazin-5(2H,4H)one

: 134793-48-9
5-trifluoroacetyl-3-thion-1,2,4-triazino<5,6-b>indole

Guidance literature:: In acetic acid; for 2h; Heating;

Reference yield:

: 27161-64-4
6-(2’-aminophenyl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one

: 134793-48-9
5-trifluoroacetyl-3-thion-1,2,4-triazino<5,6-b>indole

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / piperidine / ethanol / 2 h / Heating

2: 90 percent / acetic acid / 2 h / Heating

With piperidine; In ethanol; acetic acid;