Methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate

Base Information

• Chemical Name: Methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate
• CAS No.: 116492-98-9
• Molecular Formula: C15H10F3NO2S2
• DSSTox Substance ID: DTXSID701131310
• Mol file: 116492-98-9.mol

Synonyms:SCHEMBL10653641;IPNBUCNOICVGFW-UHFFFAOYSA-N;DTXSID701131310;CCG-55311;methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate;SR-01000644342-1;Methyl 4-cyano-5-(methylthio)-3-[3-(trifluoromethyl)phenyl]-2-thiophenecarboxylate;116492-98-9

Chemical Property of Methyl 4-cyano-5-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylate

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 357.01050540
• Heavy Atom Count: 23
• Complexity: 491

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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=C(S1)SC)C#N)C2=CC(=CC=C2)C(F)(F)F

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