4-Amino-5-(2-Methylphenyl)-2,4-Dihydro-3h-1,2,4-Triazole-3-Thione

Base Information

• Chemical Name: 4-Amino-5-(2-Methylphenyl)-2,4-Dihydro-3h-1,2,4-Triazole-3-Thione
• CAS No.: 87239-95-0
• Molecular Formula: C9H10N4S
• Molecular Weight: 206.271
• Hs Code.: 2933990090
• European Community (EC) Number: 862-008-8
• UNII: 9GLA8V58ZZ
• DSSTox Substance ID: DTXSID50368541
• Nikkaji Number: J687.691I
• Wikidata: Q27097301
• Metabolomics Workbench ID: 151218
• Mol file: 87239-95-0.mol

Synonyms:87239-95-0;4-amino-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol;4-Amino-5-(2-Methylphenyl)-2,4-Dihydro-3h-1,2,4-Triazole-3-Thione;4-amino-5-(2-methylphenyl)-2H-1,2,4-triazole-3-thione;9GLA8V58ZZ;4-amino-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione;4-Amino-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol;SBB040773;2hb9;UNII-9GLA8V58ZZ;SCHEMBL4349748;SCHEMBL13983883;DTXSID50368541;MFCD04331378;AKOS000269072;AKOS030237541;DB08069;BS-24205;PD004817;CS-0221271;EN300-08758;4-amino-5-o-tolyl-4h-1,2,4-triazole-3-thiol;4-Amino-5-o-tolyl-4H-[1,2,4]triazole-3-thiol;SR-01000047706;J-514380;SR-01000047706-1;Q27097301;Z56948374;F1967-1137;4-amino-2,4-dihydro-5-(2-methylphenyl)-3h-1,2,4-triazole-3-thione;L13

Chemical Property of 4-Amino-5-(2-Methylphenyl)-2,4-Dihydro-3h-1,2,4-Triazole-3-Thione

Chemical Property:

• Vapor Pressure: 0.000197mmHg at 25°C
• Boiling Point: 327.8°Cat760mmHg
• Flash Point: 152.1°C
• PSA: 95.53000
• Density: 1.42g/cm³
• LogP: 1.83720
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 206.06261751
• Heavy Atom Count: 14
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

4-amino-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C2=NNC(=S)N2N

Technology Process of 4-Amino-5-(2-Methylphenyl)-2,4-Dihydro-3h-1,2,4-Triazole-3-Thione

There total 15 articles about 4-Amino-5-(2-Methylphenyl)-2,4-Dihydro-3h-1,2,4-Triazole-3-Thione 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: 87.7%

2-(2-methylbenzoyl)hydrazinecarbodithioic acid potassium salt (85103-39-5) → 4-amino-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol (87239-95-0)

Guidance literature:

With hydrazine hydrate; for 2h; Reflux;

DOI:10.1002/ardp.201300202

Reference yield: 80.0%

carbon disulfide (75-15-0,12122-00-8) + 2-methylbenzohydrazide (7658-80-2) → 4-amino-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol (87239-95-0)

Guidance literature:

With potassium hydroxide; hydrazine hydrate;

Reference yield: 76.0%

carbon disulfide (75-15-0,12122-00-8) + 2-methylbenzohydrazide (7658-80-2) → 4-amino-2,4-dihydro-5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione (87239-95-0)

Guidance literature:

carbon disulfide; 2-methylbenzohydrazide; With potassium hydroxide; In methanol; at 20 ℃;

With hydrazine hydrate; In water; Reflux;

With hydrogenchloride; In water;

DOI:10.1007/s00706-010-0276-6

upstream raw materials:

2-(2-methylbenzoyl)hydrazinecarbodithioic acid potassium salt

ortho-methylbenzoic acid

carbon disulfide

2-methylbenzohydrazide

Downstream raw materials:

3-(2-Tolyl)-s-triazolo<3,4-b><1,3,4>thiadiazol-6(5H)-thione

C₁₈H₁₆N₄OS

C₁₈H₁₆N₄OS

3-o-Tolyl-4H-11-thia-1,2,3a,4,5,10-hexaaza-cyclopenta[b]anthracene

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