Cas no 62353-47-3 (2H-Azepine-2-thione, hexahydro-1-octyl-)

2H-Azepine-2-thione, hexahydro-1-octyl- structure
62353-47-3 structure
Product Name:2H-Azepine-2-thione, hexahydro-1-octyl-
CAS No:62353-47-3
MF:C14H27NS
MW:241.435882806778
CID:448180
PubChem ID:12348068
Update Time:2025-04-19

2H-Azepine-2-thione, hexahydro-1-octyl- Chemical and Physical Properties

Names and Identifiers

    • 2H-Azepine-2-thione, hexahydro-1-octyl-
    • 1-octylazepane-2-thione
    • 62353-47-3
    • DTXSID30493007
    • SCHEMBL9440202
    • Inchi: 1S/C14H27NS/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14(15)16/h2-13H2,1H3
    • InChI Key: DWFNKOXJZOLULI-UHFFFAOYSA-N
    • SMILES: S=C1CCCCCN1CCCCCCCC

Computed Properties

  • Exact Mass: 241.18661
  • Monoisotopic Mass: 241.18642104g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 191
  • 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: 4.5
  • Topological Polar Surface Area: 35.3?2

Experimental Properties

  • PSA: 3.24
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