5-[1-(4-tert-butylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 5-[1-(4-tert-butylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
• CAS No.: 588673-43-2
• Molecular Formula: C15H21N3OS
• Molecular Weight: 291.41
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90392880
• Mol file: 588673-43-2.mol

Synonyms:5-[1-(4-tert-butylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol;588673-43-2;3-[1-(4-tert-butylphenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione;5-(1-(4-(tert-Butyl)phenoxy)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol;Oprea1_673973;DTXSID90392880;ART-CHEM-BB B018168;BBL016754;MFCD03943462;STK434078;AKOS003293743;AKOS016051008;VS-05538;CS-0322875

Chemical Property of 5-[1-(4-tert-butylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 4.61E-06mmHg at 25°C
• Refractive Index: 1.585
• Boiling Point: 382.8°C at 760 mmHg
• Flash Point: 185.3°C
• PSA: 78.74000
• Density: 1.14g/cm³
• LogP: 3.54130
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 291.14053348
• Heavy Atom Count: 20
• Complexity: 394

Purity/Quality:

98%min ^*data from raw suppliers

5-[1-(4-tert-Butylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=NNC(=S)N1C)OC2=CC=C(C=C2)C(C)(C)C