Cas no 62511-85-7 (Thiourea, N,N'-bis[2-[(2-aminoethyl)amino]ethyl]-)

Thiourea, N,N'-bis[2-[(2-aminoethyl)amino]ethyl]- structure
62511-85-7 structure
Product Name:Thiourea, N,N'-bis[2-[(2-aminoethyl)amino]ethyl]-
CAS No:62511-85-7
MF:C9H24N6S
MW:248.392059326172
CID:442191
PubChem ID:71385713
Update Time:2025-04-19

Thiourea, N,N'-bis[2-[(2-aminoethyl)amino]ethyl]- Chemical and Physical Properties

Names and Identifiers

    • Thiourea, N,N'-bis[2-[(2-aminoethyl)amino]ethyl]-
    • 1,3-bis[2-(2-aminoethylamino)ethyl]thiourea
    • 62511-85-7
    • N,N'-Bis{2-[(2-aminoethyl)amino]ethyl}thiourea
    • DTXSID20807932
    • Inchi: 1S/C9H24N6S/c10-1-3-12-5-7-14-9(16)15-8-6-13-4-2-11/h12-13H,1-8,10-11H2,(H2,14,15,16)
    • InChI Key: MBPCLQWNLLBUFU-UHFFFAOYSA-N
    • SMILES: S=C(NCCNCCN)NCCNCCN

Computed Properties

  • Exact Mass: 248.17862
  • Monoisotopic Mass: 248.17831596g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 10
  • Complexity: 150
  • 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: -2.8
  • Topological Polar Surface Area: 132?2

Experimental Properties

  • PSA: 100.16
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