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4555-00-4

4555-00-4 structural image
Product Name: Butyrylthiocholine
Formula: C9H20NOS+
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COMPUTED DESCRIPTORS

Molecular Weight 190.33 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 190.12656044 g/mol
Monoisotopic Mass 190.12656044 g/mol
Topological Polar Surface Area 42.4 Ų
Heavy Atom Count 12
Formal Charge 1
Complexity 140
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Butyrylthiocholine is a quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity.