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| IUPAC Name: | 5-chloro-2-methylsulfanylpyrimidine-4-carboxylic acid |
| Description: | 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid (CAS# 61727-33-1) is a synthetic intermediate in the preparation of GSK3β inhibitors and non-nucleoside reverse transcriptase inhibitors for treating HIV infection. |
| Molecular Weight: | 204.63 |
| Molecular Formula: | C6H5ClN2O2S |
| Canonical SMILES: | CSC1=NC=C(C(=N1)C(=O)O)Cl |
| InChI: | InChI=1S/C6H5ClN2O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11) |
| InChI Key: | SEPCYCDQJZTPHO-UHFFFAOYSA-N |
| Boiling Point: | 396.4 °C at 760 mmHg |
| Melting Point: | 204-205 °C |
| Purity: | 98 % |
| Density: | 1.59 g/cm3 |
| MDL: | MFCD00173907 |
| LogP: | 1.55010 |
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