[4-oxo-3-[[3-(trifluoromethyl)benzoyl]oxymethyl]-2H-thiochromen-3-yl]methyl 3-(trifluoromethyl)benzoate

Base Information

• Chemical Name: [4-oxo-3-[[3-(trifluoromethyl)benzoyl]oxymethyl]-2H-thiochromen-3-yl]methyl 3-(trifluoromethyl)benzoate
• CAS No.: 338755-74-1
• Molecular Formula: C27H18F6O5S
• Molecular Weight: 568.5
• DSSTox Substance ID: DTXSID901117631
• Mol file: 338755-74-1.mol

Synonyms:338755-74-1;[4-oxo-3-[[3-(trifluoromethyl)benzoyl]oxymethyl]-2H-thiochromen-3-yl]methyl 3-(trifluoromethyl)benzoate;(4-oxo-3-{[3-(trifluoromethyl)benzoyloxy]methyl}-3,4-dihydro-2H-1-benzothiopyran-3-yl)methyl 3-(trifluoromethyl)benzoate;SCHEMBL2155991;XYCWMYAPKRNGDE-UHFFFAOYSA-N;DTXSID901117631;AKOS005092639;[4-oxo-3-({[3-(trifluoromethyl)benzoyl]oxy}methyl)-3,4-dihydro-2H-thiochromen-3-yl]methyl 3-(trifluoromethyl)benzenecarboxylate;5E-916;(4-oxo-3-{[3-(trifluoromethyl)benzoyloxy]methyl}-3,4-dihydro-2H-1-benzothiopyran-3-yl)methyl3-(trifluoromethyl)benzoate;1,1'-[(4-Oxo-2H-1-benzothiopyran-3(4H)-ylidene)bis(methylene)] bis[3-(trifluoromethyl)benzoate]

Chemical Property of [4-oxo-3-[[3-(trifluoromethyl)benzoyl]oxymethyl]-2H-thiochromen-3-yl]methyl 3-(trifluoromethyl)benzoate

Chemical Property:

• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 568.07791382
• Heavy Atom Count: 39
• Complexity: 856

Purity/Quality:

(4-OXO-3-(((3-(TRIFLUOROMETHYL)BENZOYL)OXY)METHYL)-3,4-DIHYDRO-2H-THIOCHROMEN-3-YL)METHYL 3-(TRIFLUOROMETHYL)BENZENECARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1C(C(=O)C2=CC=CC=C2S1)(COC(=O)C3=CC(=CC=C3)C(F)(F)F)COC(=O)C4=CC(=CC=C4)C(F)(F)F