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| IUPAC Name: | 1,3-benzothiazole-7-carboxylic acid |
| Description: | Benzothiazole-7-carboxylic Acid (CAS# 677304-83-5) is an intermediate used in the synthesis of pyrazole inhibitors of coactivator associated arginine methyltransferase 1 (CARM1). It is also used to prepare aminofuro-pyridine derivatives as inhibitors of TAK1. |
| Molecular Weight: | 179.20 |
| Molecular Formula: | C8H5NO2S |
| Canonical SMILES: | C1=CC(=C2C(=C1)N=CS2)C(=O)O |
| InChI: | InChI=1S/C8H5NO2S/c10-8(11)5-2-1-3-6-7(5)12-4-9-6/h1-4H,(H,10,11) |
| InChI Key: | ORSZGLLQNYSMNO-UHFFFAOYSA-N |
| Boiling Point: | 387.668 °C at 760 mmHg |
| Density: | 1.509 g/cm3 |
| MDL: | MFCD13195419 |
| LogP: | 1.99450 |
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