4-Isobutyl-5-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide

Base Information

• Chemical Name: 4-Isobutyl-5-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide
• CAS No.: 26029-10-7
• Molecular Formula: C₁₂H₁₅N₃S
• Molecular Weight: 233.337
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID80359205
• Wikidata: Q82140289
• Mol file: 26029-10-7.mol

Synonyms:26029-10-7;4-Isobutyl-5-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide;4-Isobutyl-5-phenyl-4H-1,2,4-triazole-3-thiol;4-(2-methylpropyl)-3-phenyl-1H-1,2,4-triazole-5-thione;4-Isobutyl-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide;4-(2-methylpropyl)-5-phenyl-4H-1,2,4-triazole-3-thiol;3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(2-methylpropyl)-5-phenyl-;SCHEMBL12565565;DTXSID80359205;JS-154C;MFCD05134110;STK190309;AKOS000100161;UPCMLD0ENAT5960183:001;BB 0217276;CS-0116546;FT-0681130;SR-01000280031;J-515588;SR-01000280031-1;Z57643712;3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-(2-methylpropyl)-5-phenyl-;4-(2-Methylpropyl)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property of 4-Isobutyl-5-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide

Chemical Property:

• Vapor Pressure: 0.000509mmHg at 25°C
• Melting Point: 187-189 °C
• Refractive Index: 1.63
• Boiling Point: 313 °C at 760 mmHg
• PKA: 8.37±0.20(Predicted)
• Flash Point: 143.1 °C
• PSA: 69.51000
• Density: 1.19 g/cm³
• LogP: 2.88980
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 233.09866866
• Heavy Atom Count: 16
• Complexity: 293

Purity/Quality:

98%Min ^*data from raw suppliers

4-Isobutyl-5-phenyl-4H-1,2,4-triazole-3-thiol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CN1C(=NNC1=S)C2=CC=CC=C2

Technology Process of 4-Isobutyl-5-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide

There total 1 articles about 4-Isobutyl-5-phenyl-4H-1,2,4-triazol-3-ylhydrosulfide 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:

→ 4-isobutyl-5-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione (26029-10-7)

Guidance literature:

entspr. Thiosemicarbazid, NaOH;

DOI:10.1002/jps.2600581123