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Acetylthiocholine

Acetylthiocholine structure

CAS No:
4468-05-7
Formula:
C7H16NOS
Chemical Name:
Acetylthiocholine
Synonyms:
Ethanaminium,2-(acetylthio)-N,N,N-trimethyl-;Ammonium,(2-mercaptoethyl)trimethyl-,acetate (ester);Ammonium,(2-mercaptoethyl)trimethyl-,acetate;Acetic acid,thio-,S-ester with (2-mercaptoethyl)trimethyl ammonium;2-(Acetylthio)-N,N,N-trimethylethanaminium;Acetylthiocholine;Choline,acetylthio-;(2-Acetylsulfanyl-ethyl)-trimethyl-ammonium;106104-66-9
Categories:
Organic Chemistry > Amides

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Description

An agent used as a substrate in assays for cholinesterases, especially to discriminate among enzyme types.

Acetylthiocholine Basic Attributes

Molecular Weight：

162.27304

Exact Mass：

162.095

DSSTox ID：

DTXSID90196269

Characteristics

PSA：

42.4

XLogP3：

0.7

Drug Information

MeSH Entry Terms：

(2-Mercaptoethyl)trimethylammonium Acetate

Computed Properties

Molecular Weight:162.28
XLogP3:0.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:162.09526031
Monoisotopic Mass:162.09526031
Topological Polar Surface Area:42.4
Heavy Atom Count:10
Formal Charge:1
Complexity:117
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes