1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-

Base Information

• Chemical Name: 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-
• CAS No.: 113766-05-5
• Molecular Formula: C10H12 N4 O S
• Molecular Weight: 236.297
• DSSTox Substance ID: DTXSID70150546
• Nikkaji Number: J1.178.641C
• Mol file: 113766-05-5.mol

Synonyms:113766-05-5;1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-;4-amino-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione;4-Amino-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol;4-Amino-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole-3-thiol;4-Amino-3-((4-methylphenoxy)methyl)-1H-1,2,4-triazole-5-thione;DTXSID70150546;AKOS000296702;4-Amino-3-(p-tolyloxymethyl)-1H-1,2,4-triazole-5(4H)-thione

Chemical Property of 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-

Chemical Property:

• Vapor Pressure: 6.41E-06mmHg at 25°C
• Boiling Point: 378.2°Cat760mmHg
• Flash Point: 182.5°C
• Density: 1.4g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 236.07318219
• Heavy Atom Count: 16
• Complexity: 299

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OCC2=NNC(=S)N2N

Technology Process of 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-

There total 8 articles about 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)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: 63.0%

C10H11N2O2S2(1-)*K(1+) (130946-72-4) → 4-Amino-5-p-tolyloxymethyl-2,4-dihydro-[1,2,4]triazole-3-thione (113766-05-5)

Guidance literature:

With hydrazine hydrate; In water; for 2h; Heating;

Reference yield: 50.0%

C10H11N2O2S2(1-)*K(1+) (130946-72-4) → 3-p-tolyoxymethyl-4-amino-5-mercapto-(4H)-1,2,4-triazole (113766-05-5)

Guidance literature:

With hydrazine hydrate; In water; Heating;

Reference yield:

4-methylphenoxyacetyl hydrazide (36304-39-9) → 3-p-tolyoxymethyl-4-amino-5-mercapto-(4H)-1,2,4-triazole (113766-05-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / ethanol

2: hydrazine hydrate

With potassium hydroxide; hydrazine hydrate; In ethanol;

upstream raw materials:

C₁₀H₁₁N₂O₂S₂^(1-)*K⁽¹⁺⁾

N-p-tolyloxyacetyl-hydrazinecarbodithioic acid

2-(4-methylphenoxy)acetic acid

Thiocarbohydrazide

Downstream raw materials:

7-Phenyl-6-p-tolyl-3-p-tolyloxymethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(4-Chloro-phenyl)-7-phenyl-3-p-tolyloxymethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(5-Nitro-furan-2-yl)-3-p-tolyloxymethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

6-(3,5-Dimethyl-phenoxymethyl)-3-p-tolyloxymethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole