Thieno(3,4-d)isothiazole, 3-(1H-pyrazol-1-yl)-, 1,1-dioxide

Base Information

Chemical Name:Thieno(3,4-d)isothiazole, 3-(1H-pyrazol-1-yl)-, 1,1-dioxide
CAS No.:113387-59-0
Molecular Formula:C₈H₅N₃O₂S₂
Molecular Weight:239.279
Hs Code.:
DSSTox Substance ID:DTXSID20150379
Wikidata:Q83016454
Mol file:113387-59-0.mol

Synonyms:BRN 5951497;Thieno(3,4-d)isothiazole, 3-(1H-pyrazol-1-yl)-, 1,1-dioxide;113387-59-0;3-(1H-Pyrazol-1-yl)thieno(3,4-d)isothiazole 1,1-dioxide;C8H5N3O2S2;DTXSID20150379;LS-152393

Suppliers and Price of Thieno(3,4-d)isothiazole, 3-(1H-pyrazol-1-yl)-, 1,1-dioxide

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

Total 0 raw suppliers

Chemical Property of Thieno(3,4-d)isothiazole, 3-(1H-pyrazol-1-yl)-, 1,1-dioxide

Chemical Property:

Vapor Pressure:1.02E-11mmHg at 25°C
Boiling Point:539.8°Cat760mmHg
Flash Point:280.3°C
PSA：100.94000
Density:1.82g/cm³
LogP:1.45820
XLogP3:0.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:238.98231876
Heavy Atom Count:15
Complexity:401

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CN(N=C1)C2=NS(=O)(=O)C3=CSC=C32

Technology Process of Thieno(3,4-d)isothiazole, 3-(1H-pyrazol-1-yl)-, 1,1-dioxide

There total 3 articles about Thieno(3,4-d)isothiazole, 3-(1H-pyrazol-1-yl)-, 1,1-dioxide 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: 50.0%

: 288-13-1
NH-pyrazole

: 59337-79-0
thieno(3,4-d)-1,2-thiazol-3(2H)-one 1,1-dioxide

: 113387-59-0
3-Pyrazol-1-yl-thieno[3,4-d]isothiazole 1,1-dioxide

Guidance literature:: With phosphorus pentachloride;
DOI:10.1016/0223-5234(88)90204-8

Reference yield:

: 59337-79-0
thieno(3,4-d)-1,2-thiazol-3(2H)-one 1,1-dioxide

: 113387-59-0
3-Pyrazol-1-yl-thieno[3,4-d]isothiazole 1,1-dioxide

Guidance literature:: Multi-step reaction with 2 steps

1: POCl₃ / dimethylformamide / 1.5 h / Heating

2: 0.5 h / 130 - 150 °C

With trichlorophosphate; In N,N-dimethyl-formamide;
DOI:10.1016/0223-5234(88)90204-8