2-Oxo-1,3-dithiolane-4-carboxylic acid

Base Information

• Chemical Name: 2-Oxo-1,3-dithiolane-4-carboxylic acid
• CAS No.: 66009-18-5
• Molecular Formula: C₄H₄O₃S₂
• Molecular Weight: 164.206
• DSSTox Substance ID: DTXSID10539634

Synonyms:2-Oxo-1,3-dithiolane-4-carboxylic acid;66009-18-5;SCHEMBL11668713;DTXSID10539634;AKOS006373876

Chemical Property of 2-Oxo-1,3-dithiolane-4-carboxylic acid

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 163.96018633
• Heavy Atom Count: 9
• Complexity: 156

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(SC(=O)S1)C(=O)O

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