Cas no 62283-91-4 (1-Thia-4,7,10,13-tetraazacyclopentadecane)

1-Thia-4,7,10,13-tetraazacyclopentadecane structure
62283-91-4 structure
Product Name:1-Thia-4,7,10,13-tetraazacyclopentadecane
CAS No:62283-91-4
MF:C10H24N4S
MW:232.389360427856
CID:450931
PubChem ID:12342767
Update Time:2025-04-19

1-Thia-4,7,10,13-tetraazacyclopentadecane Chemical and Physical Properties

Names and Identifiers

    • 1-Thia-4,7,10,13-tetraazacyclopentadecane
    • 1-thia-4,7,10,13-tetrazacyclopentadecane
    • DTXSID80492282
    • 62283-91-4
    • Inchi: 1S/C10H24N4S/c1-2-12-4-6-14-8-10-15-9-7-13-5-3-11-1/h11-14H,1-10H2
    • InChI Key: IHCOELPCIXURBF-UHFFFAOYSA-N
    • SMILES: S1CCNCCNCCNCCNCC1

Computed Properties

  • Exact Mass: 232.17242
  • Monoisotopic Mass: 232.17216796g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 121
  • 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: -1.1
  • Topological Polar Surface Area: 73.4?2

Experimental Properties

  • PSA: 48.12

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