Ethyl [(1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]acetate

Base Information

• Chemical Name: Ethyl [(1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]acetate
• CAS No.: 113313-18-1
• Molecular Formula: C₁₄H₁₂O₄S
• Molecular Weight: 276.313
• DSSTox Substance ID: DTXSID00550313
• Wikidata: Q82429589
• Mol file: 113313-18-1.mol

Synonyms:113313-18-1;SCHEMBL2239368;DTXSID00550313;SCTYCTZWNXCHQA-UHFFFAOYSA-N;Ethyl [(1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]acetate;Ethyl 2-(1,4-dioxo-1,4-dihydronaphthalen-2-ylthio)acetate

Chemical Property of Ethyl [(1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]acetate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 276.04563003
• Heavy Atom Count: 19
• Complexity: 427

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CSC1=CC(=O)C2=CC=CC=C2C1=O

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