Butyrylthiocholine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 18
Total Number of Articles : 82
PubChem 20689
Molecular Formula

C9H20NOS+

SMILES

CCCC(=O)SCC[N+](C)(C)C

InChI

InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1

synonyms
  • BUTYRYLTHIOCHOLINE
  • 4555-00-4
  • butanoylthiocholine
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Properties
Property Value
MW 190.33 g/mol
HBD 0
HBA 2
Rotatable Bond Count 6
Exact Mass 190.12656044 g/mol
Monoisotopic Mass 190.12656044 g/mol
Heavy Atom Count 12
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 140
xlogp 1.5
Topological Polar Surface Area 42.4