Butyl 2-(methylthio)acetate
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Butyl 2-(methylthio)acetate
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CAS No:
67746-25-2
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Formula:
C7H14O2S
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Chemical Name:
Butyl 2-(methylthio)acetate
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Synonyms:
Acetic acid,2-(methylthio)-,butyl ester;Acetic acid,(methylthio)-,butyl ester;Butyl 2-(methylthio)acetate
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CAS No:
Description
Butyl 2-(methylsulfanyl)acetate is a carboxylic ester obtained by the formal condensation of the carboxy group of (methylthio)acetic acid with butan-1-ol. It has a role as a metabolite. It is a carboxylic ester and a methyl sulfide. It derives from a (methylthio)acetic acid.
Butyl 2-(methylthio)acetate Use and Manufacturing
Acetic acid, 2-(methylthio)-, butyl ester: INACTIVE
Computed Properties
Molecular Weight:162.25
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:162.07145086
Monoisotopic Mass:162.07145086
Topological Polar Surface Area:51.6
Heavy Atom Count:10
Complexity:93.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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