Butanoic acid, 2-hydroxy-4-(methylthio)-, methyl ester

Base Information

• Chemical Name: Butanoic acid, 2-hydroxy-4-(methylthio)-, methyl ester
• CAS No.: 52703-96-5
• Molecular Formula: C6H12O3S
• Molecular Weight: 164.225
• European Community (EC) Number: 823-267-2
• DSSTox Substance ID: DTXSID00437433
• Nikkaji Number: J3.606.630J
• Mol file: 52703-96-5.mol

Synonyms:52703-96-5;methyl 2-hydroxy-4-(methylsulfanyl)butanoate;Butanoic acid, 2-hydroxy-4-(methylthio)-, methyl ester;methyl 2-hydroxy-4-methylsulfanylbutanoate;SCHEMBL3928355;DTXSID00437433;ZNICVDUAZVFBFJ-UHFFFAOYSA-N;CCA70396;AKOS011496090;methyl2-hydroxy-4-(methylsulfanyl)butanoate;J3.606.630J;EN300-221524;Racemic Methyl 2-Hydroxy-4-(methylthio)butyrate;2-Hydroxy-4-(methylthio)butyric acid methyl ester;2-Hydroxy-4-methylmercaptobutyric acid, Methyl Ester

Chemical Property of Butanoic acid, 2-hydroxy-4-(methylthio)-, methyl ester

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 164.05071541
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C(CCSC)O

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