Cas no 5845-62-5 (1-cyclohexyl-5-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-tetrazole)

1-cyclohexyl-5-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-tetrazole structure
5845-62-5 structure
Product Name:1-cyclohexyl-5-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-tetrazole
CAS No:5845-62-5
MF:C20H32N2O2
MW:332.480285644531
CID:1610775
PubChem ID:5204616
Update Time:2025-04-21

1-cyclohexyl-5-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-tetrazole Chemical and Physical Properties

Names and Identifiers

    • 1-cyclohexyl-5-{[2-(4-ethoxyphenoxy)ethyl]sulfanyl}-1H-tetrazole
    • 1-Cyclohexyl-5-[2-(4-ethoxy-phenoxy)-ethylsulfanyl]-1H-tetrazole
    • 1H-tetrazole, 1-cyclohexyl-5-[[2-(4-ethoxyphenoxy)ethyl]thio]-
    • 5845-62-5
    • STK066710
    • MLS001183419
    • N~1~-(Adamantan-1-yl)-N~4~-cyclohexylbutanediimidic acid
    • AKOS005389110
    • CHEMBL1720967
    • DTXSID70973994
    • N-cyclohexyl-N'-(tricyclo[3.3.1.1~3,7~]dec-1-yl)butanediamide
    • HMS2825H06
    • SMR000503108
    • Inchi: 1S/C20H32N2O2/c23-18(21-17-4-2-1-3-5-17)6-7-19(24)22-20-11-14-8-15(12-20)10-16(9-14)13-20/h14-17H,1-13H2,(H,21,23)(H,22,24)
    • InChI Key: CUEXDNDSXGMZLM-UHFFFAOYSA-N
    • SMILES: O=C(CCC(NC1CCCCC1)=O)NC12CC3CC(CC(C3)C1)C2

Computed Properties

  • Exact Mass: 348.16222
  • Monoisotopic Mass: 348.161997
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 8
  • Complexity: 350
  • 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
  • Topological Polar Surface Area: 87.4
  • XLogP3: 3.2

Experimental Properties

  • Density: 1.27
  • Boiling Point: 533.9°C at 760 mmHg
  • Flash Point: 276.7°C
  • Refractive Index: 1.629
  • PSA: 62.06
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