2-{[(1-Benzothiophen-3-yl)sulfanyl]methyl}benzoic acid

Base Information

• Chemical Name: 2-{[(1-Benzothiophen-3-yl)sulfanyl]methyl}benzoic acid
• CAS No.: 62688-25-9
• Molecular Formula: C16H12O2S2
• DSSTox Substance ID: DTXSID50489624

Synonyms:62688-25-9;2-{[(1-Benzothiophen-3-yl)sulfanyl]methyl}benzoic acid;DTXSID50489624

Chemical Property of 2-{[(1-Benzothiophen-3-yl)sulfanyl]methyl}benzoic acid

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 300.02787197
• Heavy Atom Count: 20
• Complexity: 347

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CSC2=CSC3=CC=CC=C32)C(=O)O

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