Butanethioic acid, 3-oxo-, S-methyl ester (9CI)
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Butanethioic acid, 3-oxo-, S-methyl ester (9CI)
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CAS No:
98157-54-1
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Formula:
C5H8O2S
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Chemical Name:
Butanethioic acid, 3-oxo-, S-methyl ester (9CI)
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Synonyms:
S-Methyl 3-oxobutanethioate;SCHEMBL10413664;3-Oxothiobutyric acid S-methyl ester;3-oxothiobutyric acid-S-methyl ester;ZINC39068605
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CAS No:
Computed Properties
Molecular Weight:132.18
XLogP3:0.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:132.02450067
Monoisotopic Mass:132.02450067
Topological Polar Surface Area:59.4
Heavy Atom Count:8
Complexity:109
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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