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| IUPAC Name: | 5-chloro-2,4-dimethylbenzenethiol |
| Description: | 5-Chloro-2,4-dimethylbenzene-1-thiol is an intermediate in the synthesis of 5-Chloro-Vortioxetine Hydrobromide (C424115), which is an impurity of Vortioxetine (V766000), a multimodal serotonergic agent. Vortioxetine inhibits 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT. |
| Molecular Weight: | 172.68 |
| Molecular Formula: | C8H9ClS |
| Canonical SMILES: | CC1=CC(=C(C=C1S)Cl)C |
| InChI: | InChI=1S/C8H9ClS/c1-5-3-6(2)8(10)4-7(5)9/h3-4,10H,1-2H3 |
| InChI Key: | UDEWNWNAKVKJOG-UHFFFAOYSA-N |
| Solubility: | DCM |
| References: | Bang-Andersen, B., et al. J. Med. Chem., 54, 3206 (2011); Mørk, A., et al. J. Pharmacol. Exp. Ther., 340, 666 (2012); Mørk, A., et al. Pharmacol. Biochem. Behav. 105C, 41 (2013). |
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