delta(sup 2)-1,2,4-Triazoline-5-thione, 3-(p-chlorophenyl)-1-methyl-

Base Information

• Chemical Name: delta(sup 2)-1,2,4-Triazoline-5-thione, 3-(p-chlorophenyl)-1-methyl-
• CAS No.: 27349-24-2
• Molecular Formula: C9H8 Cl N3 S
• Molecular Weight: 225.6979
• DSSTox Substance ID: DTXSID40181786
• ChEMBL ID: CHEMBL25046

Synonyms:BRN 0613270;delta(sup 2)-1,2,4-Triazoline-5-thione, 3-(p-chlorophenyl)-1-methyl-;27349-24-2;C9H8ClN3S;3-(p-Chlorophenyl)-1-methyldelta(sup 2)-1,2,4-triazoline-5-thione;5-26-04-00334 (Beilstein Handbook Reference);CHEMBL25046;DTXSID40181786;LS-156257

Chemical Property of delta(sup 2)-1,2,4-Triazoline-5-thione, 3-(p-chlorophenyl)-1-methyl-

Chemical Property:

• Vapor Pressure: 0.00127mmHg at 25°C
• Boiling Point: 298.4°C at 760 mmHg
• Flash Point: 134.3°C
• Density: 1.43g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 225.0127461
• Heavy Atom Count: 14
• Complexity: 271

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=S)N=C(N1)C2=CC=C(C=C2)Cl

Technology Process of delta(sup 2)-1,2,4-Triazoline-5-thione, 3-(p-chlorophenyl)-1-methyl-

There total 3 articles about delta(sup 2)-1,2,4-Triazoline-5-thione, 3-(p-chlorophenyl)-1-methyl- 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: 55.0%

p-chlorobenzoyl isothiocyanate (16794-67-5) + methylhydrazine (60-34-4) → 5-(4-chlorophenyl)-2,4-dihydro-2-methyl-3H-1,2,4-triazole-3-thione (27349-24-2)

Guidance literature:

In toluene;

DOI:10.1021/jm00401a031

Reference yield:

C9H10ClN3OS → 5-(4-chlorophenyl)-2,4-dihydro-2-methyl-3H-1,2,4-triazole-3-thione (27349-24-2)

Guidance literature:

With sodium hydrogencarbonate; for 17h; Yield given; Heating;

Reference yield:

→ 5-(4-chlorophenyl)-2,4-dihydro-2-methyl-3H-1,2,4-triazole-3-thione (27349-24-2)

Guidance literature:

Semicarbazid 49, NaOH;

upstream raw materials:

p-chlorobenzoyl isothiocyanate

methylhydrazine

Downstream raw materials:

3-(4-chloro-phenyl)-1-methyl-5-methylsulfanyl-1H-[1,2,4]triazole

3-(4-Chloro-phenyl)-5-methanesulfonyl-1-methyl-1H-[1,2,4]triazole

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