N-{5-[(3-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl}-N,N'-dimethylurea

Base Information

Chemical Name:N-{5-[(3-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl}-N,N'-dimethylurea
CAS No.:66046-31-9
Molecular Formula:C12H13FN4OS2
Molecular Weight:312.38600
Hs Code.:
European Community (EC) Number:662-318-1

Synonyms:66046-31-9;SCHEMBL11002227;AKOS024339843;N-{5-[(3-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl}-N,N'-dimethylurea;1-(5-((3-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea

Suppliers and Price of N-{5-[(3-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl}-N,N'-dimethylurea

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

American Custom Chemicals Corporation
2-(1,3-DIMETHYLUREIDO)-5-(3-FLUOROBENZYLTHIO)-1,3,4-THIADIAZOLE 95.00%
5MG
$ 498.06

Total 0 raw suppliers

Chemical Property of N-{5-[(3-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl}-N,N'-dimethylurea

Chemical Property:

PSA：111.66000
LogP:3.13600
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:312.05148156
Heavy Atom Count:20
Complexity:337

Purity/Quality:: 2-(1,3-DIMETHYLUREIDO)-5-(3-FLUOROBENZYLTHIO)-1,3,4-THIADIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC(=O)N(C)C1=NN=C(S1)SCC2=CC(=CC=C2)F

Technology Process of N-{5-[(3-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl}-N,N'-dimethylurea

There total 3 articles about N-{5-[(3-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl}-N,N'-dimethylurea 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: 81.0%

: 97773-03-0
2-(3-fluorobenzylthio)-5-methylamino-1,3,4-thiadiazole

: 624-83-9
methyl isocyanate

: 66046-31-9
1,3-dimethyl-1-(2-(3-fluorobenzylthio)-1,3,4-thiadiazol-5-yl)urea

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; In dichloromethane; 1.)r.t., 2 h 2.)reflux, 2 h;
DOI:10.1002/jhet.5570220360

Reference yield:

: 456-42-8
m-fluorobenzyl chloride

: 66046-31-9
1,3-dimethyl-1-(2-(3-fluorobenzylthio)-1,3,4-thiadiazol-5-yl)urea

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / 2M aq. KOH / methanol / 0.5 h / Ambient temperature

2: 81 percent / DABCO / CH₂Cl₂ / 1.)r.t., 2 h 2.)reflux, 2 h

With 1,4-diaza-bicyclo[2.2.2]octane; potassium hydroxide; In methanol; dichloromethane;
DOI:10.1002/jhet.5570220360