3-Thiophenecarboxylic acid,4-[(phenylthio)methyl]-

Base Information

• Chemical Name: 3-Thiophenecarboxylic acid,4-[(phenylthio)methyl]-
• CAS No.: 114935-96-5
• Molecular Formula: C₁₂H₁₀O₂S₂
• Molecular Weight: 250.342
• DSSTox Substance ID: DTXSID301233099

Synonyms:114935-96-5;3-thiophenecarboxylic acid,4-[(phenylthio)methyl]-;DTXSID301233099;4-[(Phenylthio)methyl]-3-thiophenecarboxylic acid

Chemical Property of 3-Thiophenecarboxylic acid,4-[(phenylthio)methyl]-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 250.01222190
• Heavy Atom Count: 16
• Complexity: 239

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SCC2=CSC=C2C(=O)O

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