(5-oxo-1,3-oxathiolan-2-yl)methyl Butanoate

Base Information

• Chemical Name: (5-oxo-1,3-oxathiolan-2-yl)methyl Butanoate
• CAS No.: 136891-16-2
• Molecular Formula: C₈H₁₂O₄S
• Molecular Weight: 204.247
• DSSTox Substance ID: DTXSID101209212

Synonyms:(5-Oxo-1,3-oxathiolan-2-yl)methyl butyrate;136891-16-2;starbld0008310;(5-oxo-1,3-oxathiolan-2-yl)methyl Butanoate;SCHEMBL1842777;UHTGOHGMLQZWAT-UHFFFAOYSA-N;DTXSID101209212;AKOS015963301;Butanoic acid, (5-oxo-1,3-oxathiolan-2-yl)methyl ester

Chemical Property of (5-oxo-1,3-oxathiolan-2-yl)methyl Butanoate

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 204.04563003
• Heavy Atom Count: 13
• Complexity: 204

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• Canonical SMILES: CCCC(=O)OCC1OC(=O)CS1

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