![2-[(2-Amino-3-chlorophenyl)thio]-benzoic Acid Methyl Ester](https://resource.bocsci.com/structure/1798293-02-3.gif)
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| IUPAC Name: | methyl 2-(2-amino-3-chlorophenyl)sulfanylbenzoate |
| Description: | 2-[(2-Amino-3-chlorophenyl)thio]-benzoic Acid Methyl Ester is an intermediate in the synthesis of 9-Chloro Quetiapine (C366040). 9-Chloro Quetiapine is an impurity of Quetiapine hemifumarate (Q510000), a dibenzothiazepine antipsychotic medication used in the treatment of schizophrenia. |
| Molecular Weight: | 293.77 |
| Molecular Formula: | C14H12ClNO2S |
| Canonical SMILES: | COC(=O)C1=CC=CC=C1SC2=C(C(=CC=C2)Cl)N |
| InChI: | InChI=1S/C14H12ClNO2S/c1-18-14(17)9-5-2-3-7-11(9)19-12-8-4-6-10(15)13(12)16/h2-8H,16H2,1H3 |
| InChI Key: | MLXRXVTWDLLQMH-UHFFFAOYSA-N |
| Solubility: | Chloroform |
| Appearance: | White Solid |
| Storage: | -20°C |
| References: | Kumar, K., et al. Org. Chem. An Indian Journal, 8, 164 (2012); Raju, I., et al. Chromatographia, 70, 545 (2009). |
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