(2-sulfanyl-1-{2-[3-(trifluoromethyl)phenoxy]ethyl}-1H-imidazol-5-yl)methanol

Base Information

• Chemical Name: (2-sulfanyl-1-{2-[3-(trifluoromethyl)phenoxy]ethyl}-1H-imidazol-5-yl)methanol
• CAS No.: 338794-79-9
• Molecular Formula: C13H13F3N2O2S
• Molecular Weight: 318.32
• DSSTox Substance ID: DTXSID201326631
• ChEMBL ID: CHEMBL1550964
• Mol file: 338794-79-9.mol

Synonyms:338794-79-9;(2-sulfanyl-1-{2-[3-(trifluoromethyl)phenoxy]ethyl}-1H-imidazol-5-yl)methanol;4-(hydroxymethyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-imidazole-2-thione;5-(Hydroxymethyl)-1-{2-[3-(trifluoromethyl)phenoxy]ethyl}-1H-imidazole-2-thiol;MLS001165520;CHEMBL1550964;DTXSID201326631;HMS2879D22;MFCD00215162;AKOS005097590;SMR000549588;6H-912

Chemical Property of (2-sulfanyl-1-{2-[3-(trifluoromethyl)phenoxy]ethyl}-1H-imidazol-5-yl)methanol

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 318.06498332
• Heavy Atom Count: 21
• Complexity: 415

Purity/Quality:

99% ^*data from raw suppliers

5-(Hydroxymethyl)-1-{2-[3-(trifluoromethyl)phenoxy]ethyl}-1H-imidazole-2-thiol 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OCCN2C(=CNC2=S)CO)C(F)(F)F

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