Benzoic acid, 2-[(methylthio)methyl]-4-(trifluoromethyl)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 2-[(methylthio)methyl]-4-(trifluoromethyl)-, methyl ester
• CAS No.: 157651-95-1
• Molecular Formula: C11H11F3O2S
• DSSTox Substance ID: DTXSID70477386
• Wikidata: Q82309877
• Mol file: 157651-95-1.mol

Synonyms:157651-95-1;Benzoic acid, 2-[(methylthio)methyl]-4-(trifluoromethyl)-, methyl ester;SCHEMBL5833100;DTXSID70477386;ODYHAIIGWJVZIT-UHFFFAOYSA-N

Chemical Property of Benzoic acid, 2-[(methylthio)methyl]-4-(trifluoromethyl)-, methyl ester

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 264.04318525
• Heavy Atom Count: 17
• Complexity: 268

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)C(F)(F)F)CSC

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