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3-sulfanyl-4-(trimethylazaniumyl)butanoate

3-sulfanyl-4-(trimethylazaniumyl)butanoate structure

CAS No:
76474-63-0
Formula:
C7H15NO2S
Chemical Name:
3-sulfanyl-4-(trimethylazaniumyl)butanoate
Synonyms:
thiocarnitine;76474-63-0;3-sulfanyl-4-(trimethylazaniumyl)butanoate;SCHEMBL565722;4-trimethyl-ammonio-3-mercaptobutanoate;1-Propanaminium, 3-carboxy-2-mercapto-N,N,N-trimethyl-, hydroxide, inner salt, (+-)-

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

Molecular Weight：

177.27 g/mol

Exact Mass：

177.08234989 g/mol

Characteristics

PSA：

41.1 Å²

Drug Information

MeSH Entry Terms：

thiocarnitine

Computed Properties

Molecular Weight:177.27
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:177.08234989
Monoisotopic Mass:177.08234989
Topological Polar Surface Area:41.1
Heavy Atom Count:11
Complexity:136
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Drug Information
Computed Properties

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