IUPAC Name: | 5-chloro-3-methyl-1-benzothiophene-2-carboxylic acid |
Description: | 5-Chloro-3-methyl-benzo[vb]thiophene-2-carboxylic Acid is used in the synthesis of direct inhibitors of factor Xa allowing for safe and effective anticoagulants. It is also used in the synthesis of potent amide linked PPARy/δ dual agonists in the treatment of diabetes. |
Molecular Weight: | 226.67 |
Molecular Formula: | C10H7ClO2S |
Canonical SMILES: | CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)O |
InChI: | InChI=1S/C10H7ClO2S/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13) |
InChI Key: | KEYCXZNZFABITO-UHFFFAOYSA-N |
Boiling Point: | 411.7°C at 760 mmHg |
Melting Point: | 290°C |
Purity: | 95% |
Density: | 1.474g/cm3 |
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Related Functional Groups
Benzofuran/Benzothiophene
Isopropyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Carbonyl Compounds
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
Halides
Sulfur Compounds
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
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