5-[(4-Chlorophenyl)sulfanyl]-2,3-dimethoxynaphthalene-1,4-dione

Base Information

• Chemical Name: 5-[(4-Chlorophenyl)sulfanyl]-2,3-dimethoxynaphthalene-1,4-dione
• CAS No.: 89226-97-1
• Molecular Formula: C18H13ClO4S
• DSSTox Substance ID: DTXSID00532250
• Wikidata: Q82404710

Synonyms:89226-97-1;SCHEMBL11142546;DTXSID00532250;5-[(4-Chlorophenyl)sulfanyl]-2,3-dimethoxynaphthalene-1,4-dione

Chemical Property of 5-[(4-Chlorophenyl)sulfanyl]-2,3-dimethoxynaphthalene-1,4-dione

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 360.0223078
• Heavy Atom Count: 24
• Complexity: 539

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=O)C2=C(C1=O)C=CC=C2SC3=CC=C(C=C3)Cl)OC

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