Cas no 6622-64-6 (Trimethyl-(2-methylsulfanylpyrimidin-4-yl)azanium;chloride)

Trimethyl-(2-methylsulfanylpyrimidin-4-yl)azanium;chloride structure
6622-64-6 structure
Product Name:Trimethyl-(2-methylsulfanylpyrimidin-4-yl)azanium;chloride
CAS No:6622-64-6
MF:C8H14ClN3S
MW:219.734858989716
CID:1711947
PubChem ID:12684330
Update Time:2025-04-21

Trimethyl-(2-methylsulfanylpyrimidin-4-yl)azanium;chloride Chemical and Physical Properties

Names and Identifiers

    • NSC54658
    • Trimethyl-4-(2-methylthiopyrimidinyl)ammoniumchlorid
    • trimethyl-(2-methylsulfanylpyrimidin-4-yl)azanium,chloride
    • chloride
    • trimethyl-(2-methylsulfanylpyrimidin-4-yl)azanium
    • N,N,N-Trimethyl-2-(methylsulfanyl)pyrimidin-4-aminium chloride
    • 6622-64-6
    • NSC-54658
    • DTXSID40506819
    • Trimethyl-(2-methylsulfanylpyrimidin-4-yl)azanium;chloride
    • Inchi: 1S/C8H14N3S.ClH/c1-11(2,3)7-5-6-9-8(10-7)12-4;/h5-6H,1-4H3;1H/q+1;/p-1
    • InChI Key: NBKXLPICVJTYST-UHFFFAOYSA-M
    • SMILES: [Cl-].S(C)C1=NC=CC(=N1)[N+](C)(C)C

Computed Properties

  • Exact Mass: 184.09102
  • Monoisotopic Mass: 219.0596963g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 144
  • 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: 51.1?2

Experimental Properties

  • PSA: 25.78
  • LogP: -1.60080
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