Cas no 344268-77-5 (3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole)

3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole structure
344268-77-5 structure
Product Name:3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
CAS No:344268-77-5
MF:C19H19ClFN3S2
MW:407.955663919449
CID:5705064
PubChem ID:1483476
Update Time:2023-10-31

3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole Chemical and Physical Properties

Names and Identifiers

    • AKOS005097683
    • 3-[(4-chlorophenyl)methylsulfanylmethyl]-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole
    • 3-((4-chlorobenzylthio)methyl)-4-ethyl-5-(4-fluorobenzylthio)-4H-1,2,4-triazole
    • 4-chlorobenzyl {4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl sulfide
    • 344268-77-5
    • 7H-423S
    • 3-(((4-Chlorobenzyl)sulfanyl)methyl)-4-ethyl-5-(4-fluorobenzyl)sulfanyl)-4H-1,2,4-triazole
    • 3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
    • 4-CHLOROBENZYL (4-ETHYL-5-[(4-FLUOROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFIDE
    • 3-([(4-CHLOROBENZYL)SULFANYL]METHYL)-4-ETHYL-5-[(4-FLUOROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOLE
    • 4H-1,2,4-Triazole, 3-[[[(4-chlorophenyl)methyl]thio]methyl]-4-ethyl-5-[[(4-fluorophenyl)methyl]thio]-
    • Inchi： 1S/C19H19ClFN3S2/c1-2-24-18(13-25-11-14-3-7-16(20)8-4-14)22-23-19(24)26-12-15-5-9-17(21)10-6-15/h3-10H,2,11-13H2,1H3
    • InChI Key： QHANQEINTKGNAY-UHFFFAOYSA-N
    • SMILES： N1=C(SCC2=CC=C(F)C=C2)N(CC)C(CSCC2=CC=C(Cl)C=C2)=N1

Computed Properties

  • Exact Mass: 407.0692958g/mol
  • Monoisotopic Mass: 407.0692958g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 8
  • Complexity: 404
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 81.3?2

Experimental Properties

  • Density: 1.30±0.1 g/cm3(Predicted)
  • Boiling Point: 567.7±60.0 °C(Predicted)
  • pka: 1.24±0.10(Predicted)

3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole Related Literature

344268-77-5 (3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole) Related Products

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