5-[1-(1,3-Dithian-2-ylidene)ethyl]-2-methoxybenzoic acid

Base Information

• Chemical Name: 5-[1-(1,3-Dithian-2-ylidene)ethyl]-2-methoxybenzoic acid
• CAS No.: 89864-06-2
• Molecular Formula: C14H16O3S2
• DSSTox Substance ID: DTXSID80535749

Synonyms:89864-06-2;5-[1-(1,3-Dithian-2-ylidene)ethyl]-2-methoxybenzoic acid;SCHEMBL10368840;DTXSID80535749

Chemical Property of 5-[1-(1,3-Dithian-2-ylidene)ethyl]-2-methoxybenzoic acid

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 296.05408672
• Heavy Atom Count: 19
• Complexity: 360

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C1SCCCS1)C2=CC(=C(C=C2)OC)C(=O)O

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