Cas no 94088-03-6 (Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, bromide (1:1))

Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, bromide (1:1) structure
94088-03-6 structure
Product Name:Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, bromide (1:1)
CAS No:94088-03-6
MF:C9H20BrNOS
MW:270.230200767517
CID:814410
PubChem ID:3023458
Update Time:2025-04-19

Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, bromide (1:1) Chemical and Physical Properties

Names and Identifiers

    • Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, bromide (1:1)
    • [2-(butyrylthio)ethyl]trimethylammonium bromide
    • 2-butanoylsulfanylethyl(trimethyl)azanium,bromide
    • DTXSID90916540
    • EINECS 301-999-9
    • 2-(Butanoylsulfanyl)-N,N,N-trimethylethan-1-aminium bromide
    • 94088-03-6
    • butyrylthiocholine bromide
    • NS00092402
    • (2-(Butyrylthio)ethyl)trimethylammonium bromide
    • Inchi: 1S/C9H20NOS.BrH/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
    • InChI Key: JLFDGMDQNMQCGF-UHFFFAOYSA-M
    • SMILES: [Br-].S(C(CCC)=O)CC[N+](C)(C)C

Computed Properties

  • Exact Mass: 269.04490g/mol
  • Monoisotopic Mass: 269.04490g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 140
  • 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

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C

Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, bromide (1:1) Related Literature

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