Methyl 3-(acetylthio)-2-methylpropanoate
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Methyl 3-(acetylthio)-2-methylpropanoate
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CAS No:
97101-46-7
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Formula:
C7H12O3S
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Chemical Name:
Methyl 3-(acetylthio)-2-methylpropanoate
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Synonyms:
Propanoic acid,3-(acetylthio)-2-methyl-,methyl ester;Propanoic acid,3-(acetylthio)-2-methyl-,methyl ester,(±)-;Methyl 3-(acetylthio)-2-methylpropanoate;3-Acetylthio-2-methyl propionic acid methyl ester;125768-51-6;92065-73-1;195072-08-3
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CAS No:
Description
Methyl beta-(acetylthio)isobutyrate is a methyl ester derived from beta-(acetylthio)isobutyric acid. It is a methyl ester and a thioacetate ester. It derives from an isobutyric acid.
Safety Information
22-43-50/53
24-37-60-61
Xn,N
|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P391, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 233 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:176.24
XLogP3:1.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:176.05071541
Monoisotopic Mass:176.05071541
Topological Polar Surface Area:68.7
Heavy Atom Count:11
Complexity:156
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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