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Home > Encyclopedia > Methyl 3-(acetylthio)-2-methylpropanoate

Methyl 3-(acetylthio)-2-methylpropanoate

Methyl 3-(acetylthio)-2-methylpropanoate structure

Methyl 3-(acetylthio)-2-methylpropanoate 

structure
  • CAS No:

    97101-46-7

  • Formula:

    C7H12O3S

  • Chemical Name:

    Methyl 3-(acetylthio)-2-methylpropanoate

  • 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

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.

Methyl 3-(acetylthio)-2-methylpropanoate Basic Attributes

176.23

176.23

411-040-7

DTXSID70448011

Characteristics

1.108±0.06 g/cm3

102-103 °C

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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