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| IUPAC Name: | 1-(4-methylsulfanylphenyl)ethanone |
| Description: | 4'-(Methylthio)acetophenone (CAS# 1778-09-2) is a versatile building block used in the synthesis of chemical compounds such as Vioxx (Rofecoxib), an non-steroidal anti-inflammatory drug (NSAID). |
| Molecular Weight: | 166.24 |
| Molecular Formula: | C9H10OS |
| Canonical SMILES: | CC(=O)C1=CC=C(C=C1)SC |
| InChI: | InChI=1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3 |
| InChI Key: | JECUZQLBQKNEMW-UHFFFAOYSA-N |
| Boiling Point: | 282.5 °C at 760 mmHg |
| Melting Point: | 80-82 °C |
| Purity: | 98 % |
| Density: | 1.1 g/cm3 |
| Appearance: | White to light yellow crystal powde |
| MDL: | MFCD00039835 |
| LogP: | 2.61110 |
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