Cas no 110438-89-6 (Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)thio]-, iodide)

Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)thio]-, iodide structure
110438-89-6 structure
Product Name:Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)thio]-, iodide
CAS No:110438-89-6
MF:C10H22INOS
MW:331.257254123688
CID:1198845
PubChem ID:71335310
Update Time:2025-04-20

Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)thio]-, iodide Chemical and Physical Properties

Names and Identifiers

    • Ethanaminium, N,N,N-trimethyl-2-[(1-oxopentyl)thio]-, iodide
    • trimethyl(2-pentanoylsulfanylethyl)azanium,iodide
    • N,N,N-Trimethyl-2-(pentanoylsulfanyl)ethan-1-aminium iodide
    • DTXSID60763301
    • 110438-89-6
    • Inchi: 1S/C10H22NOS.HI/c1-5-6-7-10(12)13-9-8-11(2,3)4;/h5-9H2,1-4H3;1H/q+1;/p-1
    • InChI Key: KEILFWHVGUVPEI-UHFFFAOYSA-M
    • SMILES: [I-].S(C(CCCC)=O)CC[N+](C)(C)C

Computed Properties

  • Exact Mass: 308.8741
  • Monoisotopic Mass: 331.04668g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 152
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42.4?2

Experimental Properties

  • PSA: 17.07
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