Cas no 22026-63-7 (2-Butanoylsulfanylethyl(trimethyl)azanium Chloride)

2-Butanoylsulfanylethyl(trimethyl)azanium Chloride structure
22026-63-7 structure
Product Name:2-Butanoylsulfanylethyl(trimethyl)azanium Chloride
CAS No:22026-63-7
MF:C9H20ClNOS
MW:225.779200553894
CID:278776
PubChem ID:57653929
Update Time:2025-04-19

2-Butanoylsulfanylethyl(trimethyl)azanium Chloride Chemical and Physical Properties

Names and Identifiers

    • Ethanaminium,N,N,N-trimethyl-2-[(1-oxobutyl)thio]-, chloride (1:1)
    • 2-butanoylsulfanylethyl(trimethyl)azanium,chloride
    • S-BUTYRYLTHIOCHOLINE CHLORIDE
    • S-butyrylthiocholinechloride*crystalline
    • (2-(Butyrylthio)ethyl)trimethylammonium chloride
    • butyrylthiocholine chloride
    • EINECS 244-731-5
    • 22026-63-7
    • AKOS015833148
    • Ammonium, (2-mercaptoethyl)trimethyl-, chloride, butyrate
    • 2-(Butanoylsulfanyl)-N,N,N-trimethylethan-1-aminium chloride
    • DTXSID80944630
    • NS00049802
    • S-BUTYRYLTHIOCHOLINECHLORIDE
    • MFCD00050241
    • S-Butyrylthiocholine (chloride)
    • 2-butanoylsulfanylethyl(trimethyl)azanium chloride
    • B-9590
    • S-Butyrylthiocholine chloride is alos known as (2-(Butyrylthio)ethyl)trimethylammonium chloride.
    • SCHEMBL5450062
    • 2-butanoylsulfanylethyl(trimethyl)azanium;chloride
    • QYNZLUZQWOCGCH-UHFFFAOYSA-M
    • 2-Butanoylsulfanylethyl(trimethyl)azanium Chloride
    • MDL: MFCD00050241
    • Inchi: 1S/C9H20NOS.ClH/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
    • InChI Key: QYNZLUZQWOCGCH-UHFFFAOYSA-M
    • SMILES: [Cl-].S(C(CCC)=O)CC[N+](C)(C)C

Computed Properties

  • Exact Mass: 225.09500
  • Monoisotopic Mass: 225.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 42.4A^2

Experimental Properties

  • Color/Form: White crystals.
  • Melting Point: 163-165 C
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 42.37000
  • LogP: -1.24350
  • Solubility: Soluble in water.

2-Butanoylsulfanylethyl(trimethyl)azanium Chloride Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • Hazardous Material Identification: Xi
  • Storage Condition:2-8°C

2-Butanoylsulfanylethyl(trimethyl)azanium Chloride Pricemore >>

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