2-(Methylsulfanyl)ethyl 3-oxobutanoate

Base Information

• Chemical Name: 2-(Methylsulfanyl)ethyl 3-oxobutanoate
• CAS No.: 90252-74-7
• Molecular Formula: C7H12O3S
• Molecular Weight: 176.236
• DSSTox Substance ID: DTXSID90551374
• Wikidata: Q82431007

Synonyms:90252-74-7;2-(Methylsulfanyl)ethyl 3-oxobutanoate;2-methylthioethyl acetoacetate;SCHEMBL10982819;DTXSID90551374

Chemical Property of 2-(Methylsulfanyl)ethyl 3-oxobutanoate

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 176.05071541
• Heavy Atom Count: 11
• Complexity: 145

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)OCCSC

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