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| IUPAC Name: | 1-thiophen-3-ylethanone |
| Description: | 3-Acetylthiophene (CAS# 1468-83-3) is used as the starting material in the synthesis of rac Duloxetine 3-Thiophene Isomer Hydrochloride (D721025); an isomeric impurity of the antidepressant Duloxetine (D721000). |
| Molecular Weight: | 126.18 |
| Molecular Formula: | C6H6OS |
| Canonical SMILES: | CC(=O)C1=CSC=C1 |
| InChI: | InChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3 |
| InChI Key: | RNIDWJDZNNVFDY-UHFFFAOYSA-N |
| Boiling Point: | 208-210 ℃ (748 mmHg) |
| Melting Point: | 57-61 ℃ |
| Purity: | 95 % |
| Density: | 1.142 g/cm3 |
| Solubility: | 8307 mg/L at 25 °C (est) |
| Appearance: | White to light yellow crystal powder |
| Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
| MDL: | MFCD00005468 |
| LogP: | 1.95070 |
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Carbonyl Compounds
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Thiophenes
Ethyl 2-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate
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