AC1LUGRN structure

AC1LUGRN

4-[4-(4-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Also Known As: 4-(4-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl 3-(trifluoromethyl)benzyl sulfide|4-[4-(4-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine|4-(4-(4-chlorophenyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine|4-(4-chlorophenyl)-5-(4-pyridyl)-3-{[3-(trifluoromethyl)phenyl]methylthio}-1,2 ,4-triazole|4-[4-(4-chlorophenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]pyridine|4-[4-(4-chlorophenyl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine

CAS: 613226-05-4
Molecular Formula C21H14ClF3N4S
Molecular Weight 446.05798 g/mol
LogP 6.2938
Topological Polar Surface Area 43.6 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 446.05798
Monoisotopic Mass 446.05798
Heavy Atoms 30
Complexity 1145.1377

Chemical Identifiers

CAS Number 613226-05-4
SMILES C1=CC(=CC(=C1)C(F)(F)F)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4

Product Overview

AC1LUGRN (CAS 613226-05-4), with molecular formula C21H14ClF3N4S and molecular weight 446.05798 g/mol. IUPAC: 4-[4-(4-chlorophenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.

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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.
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