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3-acetylsulfanyl-4-(trimethylazaniumyl)butanoate

3-acetylsulfanyl-4-(trimethylazaniumyl)butanoate structure

CAS No:
76474-64-1
Formula:
C9H17NO3S
Chemical Name:
3-acetylsulfanyl-4-(trimethylazaniumyl)butanoate
Synonyms:
S-acetylthiocarnitine;76474-64-1;S-Acetylthiocarnitine;3-acetylsulfanyl-4-(trimethylazaniumyl)butanoate;SCHEMBL4255560;DTXSID90997854;3-(Acetylsulfanyl)-4-(trimethylazaniumyl)butanoate;1-Propanaminium, 2-(acetylthio)-3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, (+-)-

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3-acetylsulfanyl-4-(trimethylazaniumyl)butanoate Basic Attributes

Molecular Weight：

219.30 g/mol

Exact Mass：

219.09291458 g/mol

Characteristics

PSA：

82.5 Å²

Drug Information

MeSH Entry Terms：

S-acetylthiocarnitine

Computed Properties

Molecular Weight:219.30
XLogP3:0.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:219.09291458
Monoisotopic Mass:219.09291458
Topological Polar Surface Area:82.5
Heavy Atom Count:14
Complexity:217
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-acetylsulfanyl-4-(trimethylazaniumyl)butanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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