2-(Acetylthio)-3-methylbutanoic acid

Base Information

• Chemical Name: 2-(Acetylthio)-3-methylbutanoic acid
• CAS No.: 169812-47-9
• Molecular Formula: C₇H₁₂O₃S
• Molecular Weight: 176.236
• DSSTox Substance ID: DTXSID501289743

Synonyms:SCHEMBL7309246;DTXSID501289743;2-(Acetylthio)-3-methylbutanoic acid;169812-47-9

Chemical Property of 2-(Acetylthio)-3-methylbutanoic acid

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 176.05071541
• Heavy Atom Count: 11
• Complexity: 165

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MSDS Files:

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• Canonical SMILES: CC(C)C(C(=O)O)SC(=O)C

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