Cas no 62549-45-5 (Thiourea, N-sec-heptyl-N'-undecyl-)

Thiourea, N-sec-heptyl-N'-undecyl- structure
62549-45-5 structure
Product Name:Thiourea, N-sec-heptyl-N'-undecyl-
CAS No:62549-45-5
MF:C19H40N2S
MW:328.599304199219
CID:440670
PubChem ID:20322725
Update Time:2025-04-19

Thiourea, N-sec-heptyl-N'-undecyl- Chemical and Physical Properties

Names and Identifiers

    • Thiourea, N-sec-heptyl-N'-undecyl-
    • 1-heptan-2-yl-3-undecylthiourea
    • 62549-45-5
    • N-Heptan-2-yl-N'-undecylthiourea
    • SCHEMBL11594416
    • DTXSID20605253
    • Inchi: 1S/C19H40N2S/c1-4-6-8-9-10-11-12-13-15-17-20-19(22)21-18(3)16-14-7-5-2/h18H,4-17H2,1-3H3,(H2,20,21,22)
    • InChI Key: CHQWBEVNOFQETN-UHFFFAOYSA-N
    • SMILES: S=C(NCCCCCCCCCCC)NC(C)CCCCC

Computed Properties

  • Exact Mass: 328.2915
  • Monoisotopic Mass: 328.29122046g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 15
  • Complexity: 244
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.8
  • Topological Polar Surface Area: 56.2?2

Experimental Properties

  • PSA: 24.06
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