Methyl 4-{[2-(naphthalen-1-yl)ethanethioyl]sulfanyl}butanoate

Base Information

• Chemical Name: Methyl 4-{[2-(naphthalen-1-yl)ethanethioyl]sulfanyl}butanoate
• CAS No.: 62409-80-7
• Molecular Formula: C17H18O2S2
• Molecular Weight: 318.45400
• DSSTox Substance ID: DTXSID60491596
• Wikidata: Q82336347

Synonyms:62409-80-7;DTXSID60491596;Methyl 4-{[2-(naphthalen-1-yl)ethanethioyl]sulfanyl}butanoate

Chemical Property of Methyl 4-{[2-(naphthalen-1-yl)ethanethioyl]sulfanyl}butanoate

Chemical Property:

• PSA: 83.69000
• LogP: 4.39610
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 318.07482216
• Heavy Atom Count: 21
• Complexity: 357

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCCSC(=S)CC1=CC=CC2=CC=CC=C21

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