2-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-hexyl-1,3-thiazole-4-carboxamide

Base Information

• Chemical Name: 2-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-hexyl-1,3-thiazole-4-carboxamide
• CAS No.: 5948-77-6
• Molecular Formula: C27H31N5OS2
• Molecular Weight: 505.6979
• DSSTox Substance ID: DTXSID00411076

Synonyms:5948-77-6;2-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-hexyl-1,3-thiazole-4-carboxamide;DTXSID00411076

Chemical Property of 2-[[5-benzyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-hexyl-1,3-thiazole-4-carboxamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.24g/cm³
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 505.19700298
• Heavy Atom Count: 35
• Complexity: 635

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCNC(=O)C1=CSC(=N1)CSC2=NN=C(N2C3=CC=CC=C3C)CC4=CC=CC=C4

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