1-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

Base Information

• Chemical Name: 1-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
• CAS No.: 32362-75-7
• Molecular Formula: C3H5N3S
• Molecular Weight: 115.159
• DSSTox Substance ID: DTXSID50186080
• Nikkaji Number: J340.975I
• Mol file: 32362-75-7.mol

Synonyms:32362-75-7;1-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione;1,2-Dihydro-2-methyl-3H-1,2,4-triazole-3-thione;3H-1,2,4-Triazole-3-thione, 1,2-dihydro-2-methyl-;2-methyl-1H-1,2,4-triazole-3-thione;SCHEMBL1628059;DTXSID50186080;PSCNKLHSBAUYBP-UHFFFAOYSA-N;AKOS006352142;LS-156226;EN300-134247;2-methyl-2,3-dihydro-1H-1,2,4-triazole-3-thione;2-Methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione;Z1655141058

Chemical Property of 1-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

Chemical Property:

• Vapor Pressure: 7.78mmHg at 25°C
• Boiling Point: 135.3°Cat760mmHg
• Flash Point: 35.6°C
• Density: 1.44g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 115.02041835
• Heavy Atom Count: 7
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=S)N=CN1

Technology Process of 1-methyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

There total 2 articles about 1-methyl-4,5-dihydro-1H-1,2,4-triazole-5-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: 90.0%

2-(2-methylhydrazono)acetic acid + sodium thiocyanide (540-72-7) → 2-methyl-1,2,4-triazole-3-thione (32362-75-7)

Guidance literature:

With acetic acid; at 80 ℃; regioselective reaction;

Reference yield:

→ 1-Methyl-5-thion-1,2,4-triazolin (32362-75-7)

Guidance literature:

2-Methyl-thiosemicarbazid, sd.konz.HCO2H (1h);

Reference yield: 100.0%

di-tert-butyl (1S,2R,3S,4R,5R,6R)-2-[(tert-butoxycarbonyl)amino]-3-[(3,4-dichlorobenzyl)oxy]-4-[(methylsulfonyl)oxy]bicyclo[3.1.0]hexane-2,6-dicarboxylate (1377990-35-6) + 2-methyl-1,2,4-triazole-3-thione (32362-75-7) → di-tert-butyl (1R,2R,3S,4S,5R,6R)-2-(tert-butoxycarbonylamino)-3-[(3,4-dichlorophenyl)methoxy]-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]bicyclo[3.1.0]hexane-2,6-dicarboxylate (1377990-49-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 48h;

upstream raw materials:

sodium thiocyanide

Downstream raw materials:

di-tert-butyl (1R,2R,3S,4S,5R,6R)-2-(tert-butoxycarbonylamino)-3-[(3,4-dichlorophenyl)methoxy]-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]bicyclo[3.1.0]hexane-2,6-dicarboxylate

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