3-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole

Base Information

• Chemical Name: 3-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole
• CAS No.: 5548-15-2
• Molecular Formula: C24H31N3OS
• Molecular Weight: 409.6
• DSSTox Substance ID: DTXSID90970824
• Wikidata: Q82954082
• Mol file: 5548-15-2.mol

Synonyms:3-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole;5548-15-2;3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazole;DTXSID90970824;MXSFUMPTLKPDQN-UHFFFAOYSA-N;STK120666;AKOS005401067;AN-465/41995542;{5-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl 2-methylphenyl ether;3-{[(4-tert-Butyl-2,6-dimethylphenyl)methyl]sulfanyl}-4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole

Chemical Property of 3-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole

Chemical Property:

• Vapor Pressure: 5.01E-13mmHg at 25°C
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 409.21878379
• Heavy Atom Count: 29
• Complexity: 499

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=C(C=C(C=C3C)C(C)(C)C)C