[3,5-bis(trifluoromethyl)phenyl]methanethiol

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methanethiol Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methanethiol CAS Name: [3,5-bis(trifluoromethyl)phenyl]methanethiol IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanethiol Traditional Name: [3,5-bis(trifluoromethyl)phenyl]methanethiol Formula: C9H6F6S MolecularWeight: 260.199359

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CS

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CS

InChI

InChI=1S/C9H6F6S/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3,16H,4H2