Molecule ID: 9966051

IUPAC Name: 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine

Description: The molecule is an N-arylpiperazine in which the aryl group is specified as 2-[(2,4-dimethylphenyl)sulfanyl]phenyl. Used (as its hydrobromide salt) for treatment of major depressive disorder. It has a role as an antidepressant, an anxiolytic drug, a serotonergic agonist and a serotonergic antagonist. It is a N-arylpiperazine and an aryl sulfide. It is a conjugate base of a vortioxetine(1+).

SMILES: Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1

SELFIES: [C][C][=C][C][=C][Branch2][Ring1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3

Molecular Properties:
- Polar Surface Area: 40.6 Ų
- LogP: 4.2