Guanidine, 1-cyclohexyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-, dihydrate

Base Information

Chemical Name:Guanidine, 1-cyclohexyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-, dihydrate
CAS No.:71253-70-8
Molecular Formula:C₁₉H₂₂N₆S₂
Molecular Weight:398.556
Hs Code.:
DSSTox Substance ID:DTXSID30221428
ChEMBL ID:CHEMBL61224

Synonyms:Guanidine, 1-cyclohexyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-, dihydrate;71253-70-8;CHEMBL61224;DTXSID30221428;C19H22N6S2.2H2O;C19-H22-N6-S2.2H2-O;LS-73508

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

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Chemical Property of Guanidine, 1-cyclohexyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-, dihydrate

Chemical Property:

Vapor Pressure:3.16E-12mmHg at 25°C
Boiling Point:551.9°Cat760mmHg
Flash Point:287.6°C
Density:1.44g/cm³
XLogP3:4.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:398.13473707
Heavy Atom Count:27
Complexity:601

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=NNC(=S)S4

Technology Process of Guanidine, 1-cyclohexyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-, dihydrate

There total 3 articles about Guanidine, 1-cyclohexyl-3-(5-mercapto-1,3,4-thiadiazol-2-yl)-2-(2-methyl-4-quinolyl)-, dihydrate 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: 59.0%

: 71079-18-0
N¹-cyclohexyl-N²-(2-methyl-4-quinolyl)carbodiimide

: 2349-67-9
2-Amino-5-mercapto-1,3,4-thiadiazole

: 71253-70-8
N-cyclohexyl-N'-(2-methyl-quinolin-4-yl)-N''-(5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-guanidine

Guidance literature:: In methanol; for 1h; Heating;
DOI:10.1021/jm00175a004

Reference yield:

: 71070-70-7
N-cyclohexyl-N'-4-(2-methylquinolyl)urea

: 71253-70-8
N-cyclohexyl-N'-(2-methyl-quinolin-4-yl)-N''-(5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-guanidine

Guidance literature:: Multi-step reaction with 2 steps

1: Ph₃P, Et₃N / CCl₄; CH₂Cl₂ / 2 h / Heating

2: 59 percent / methanol / 1 h / Heating

With triethylamine; triphenylphosphine; In methanol; tetrachloromethane; dichloromethane;
DOI:10.1021/jm00175a004