5-[3-(tert-butyl)-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl]-4-methyl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 5-[3-(tert-butyl)-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl]-4-methyl-4H-1,2,4-triazole-3-thiol
• CAS No.: 306937-18-8
• Molecular Formula: C17H19Cl2N5S
• Molecular Weight: 396.34
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10372644
• Wikidata: Q82160466
• Mol file: 306937-18-8.mol

Synonyms:306937-18-8;5-[3-(tert-butyl)-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl]-4-methyl-4H-1,2,4-triazole-3-thiol;3-[5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-methyl-1H-1,2,4-triazole-5-thione;5-{3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-5-yl}-4-methyl-4H-1,2,4-triazole-3-thiol;Maybridge1_008692;HMS566D02;DTXSID10372644;MFCD01765440;AS-9095;FT-0619883;A820558;5-(3-tert-butyl-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol;5-[3-(TERT-BUTYL)-1-(2,4-DICHLOROBENZYL)-1H-PYRAZOL-5-YL]-4-METHYL-4H-[1,2,4]TRIAZOLE-3-THIOL;5-[3-(tert-Butyl)-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl]-4-methyl4H-1,2,4-triazole-3-thiol;5-{3-tert-Butyl-1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-5-yl}-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property of 5-[3-(tert-butyl)-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl]-4-methyl-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 2.27E-10mmHg at 25°C
• Melting Point: 191 °C
• Refractive Index: 1.669
• Boiling Point: 506.2 °C at 760 mmHg
• Flash Point: 259.9 °C
• PSA: 87.33000
• Density: 1.38 g/cm³
• LogP: 4.61990
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 395.0738222
• Heavy Atom Count: 25
• Complexity: 550

Purity/Quality:

98%min ^*data from raw suppliers

5-[3-(tert-Butyl)-1-(2,4-dichlorobenzyl)-1H-pyrazol-5-yl]-4-methyl-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: CC(C)(C)C1=NN(C(=C1)C2=NNC(=S)N2C)CC3=C(C=C(C=C3)Cl)Cl