Cas no 956165-79-0 (3-[(3,4-Dichlorobenzyl)sulfinyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole)

3-[(3,4-Dichlorobenzyl)sulfinyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole structure
956165-79-0 structure
Product Name:3-[(3,4-Dichlorobenzyl)sulfinyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
CAS No:956165-79-0
MF:C23H16Cl2F3N3O2S
MW:526.35825252533
CID:5015598
Update Time:2023-08-25

3-[(3,4-Dichlorobenzyl)sulfinyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole Chemical and Physical Properties

Names and Identifiers

    • 3-[(3,4-dichlorophenyl)methanesulfinyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
    • 3-[(3,4-dichlorobenzyl)sulfinyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
    • 3-[(3,4-Dichlorobenzyl)sulfinyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole
    • Inchi: 1S/C23H16Cl2F3N3O2S/c24-19-10-9-15(11-20(19)25)14-34(32)22-30-29-21(31(22)17-6-2-1-3-7-17)13-33-18-8-4-5-16(12-18)23(26,27)28/h1-12H,13-14H2
    • InChI Key: FMGZLBSUBYBKGN-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=CC(=C1)CS(C1=NN=C(COC2C=CC=C(C(F)(F)F)C=2)N1C1C=CC=CC=1)=O)Cl

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 7
  • Complexity: 686
  • XLogP3: 5.8
  • Topological Polar Surface Area: 76.2

3-[(3,4-Dichlorobenzyl)sulfinyl]-4-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole Pricemore >>

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3-((3,4-Dichlorobenzyl)sulfinyl)-4-phenyl-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole
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