Cas no 79692-41-4 ( )

  structure
  structure
Product Name: 
CAS No:79692-41-4
MF:C22H39N3O
MW:361.564565896988
CID:984820
PubChem ID:287057
Update Time:2025-04-20

  Chemical and Physical Properties

Names and Identifiers

    • 2-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
    • NSC146448
    • AKOS024365857
    • n,n-bis(2-cyanoethyl)hexadecanamide
    • NSC-146448
    • 79692-41-4
    • DTXSID001000671
    •  
    • Inchi： 1S/C22H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22(26)25(20-15-18-23)21-16-19-24/h2-17,20-21H2,1H3
    • InChI Key： VNMKCXLQVGFVDQ-UHFFFAOYSA-N
    • SMILES： O=C(CCCCCCCCCCCCCCC)N(CCC#N)CCC#N

Computed Properties

  • Exact Mass: 352.00116
  • Monoisotopic Mass: 361.309312876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 18
  • Complexity: 409
  • 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: 6.4
  • Topological Polar Surface Area: 67.9?2

Experimental Properties

  • PSA: 60.85

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