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The molecular formula is C8H7F3OS.
The molecular weight is 208.20 g/mol.
The IUPAC name is [4-(trifluoromethoxy)phenyl]methanethiol.
The InChI is InChI=1S/C8H7F3OS/c9-8(10,11)12-7-3-1-6(5-13)2-4-7/h1-4,13H,5H2.
The InChIKey is VWLQXXSOXQNHJM-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC=C1CS)OC(F)(F)F.
The XLogP3-AA value is 3.2.
The compound has 1 hydrogen bond donor count.
The compound has 5 hydrogen bond acceptor counts.
The compound has 2 rotatable bond counts.
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