AC1LISIU
4-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
Also Known As: 4-(((4-amino-5-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzonitrile|4-({[4-amino-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile|4-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile|4-{[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-ylthio]methyl}benzenecarbonitri le
CAS: 577787-57-6
| Molecular Formula | C17H15N5S |
|---|---|
| Molecular Weight | 321.10483 g/mol |
| LogP | 3.1313 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.10483 |
| Monoisotopic Mass | 321.10483 |
| Heavy Atoms | 23 |
| Complexity | 861.4354 |
Chemical Identifiers
| CAS Number | 577787-57-6 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC=C(C=C3)C#N |
Product Overview
AC1LISIU (CAS 577787-57-6), with molecular formula C17H15N5S and molecular weight 321.10483 g/mol. IUPAC: 4-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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