2-Acetyl-3,7-dimethylbenzo(b)thiophene
1-(3,7-dimethyl-1-benzothiophen-2-yl)ethanone
Also Known As: 2-Acetyl-3,7-dimethylbenzo(b)thiophene|1-(3,7-dimethylbenzo[b]thiophen-2-yl)ethanone|1-(3,7-dimethyl-1-benzothiophen-2-yl)ethanone|1-(3,7-dimethyl-1-benzothiophen-2-yl)ethan-1-one|2-Acetyl-3,7-dimethylbenzo[b]thiophene|2-Acetyl-3,7-dimethyl-1-benzothiophene|J1.428.958E|1-(3,7-Dimethyl-1-benzothien-2-yl)ethanone #
CAS: 6179-06-2
| Molecular Formula | C12H12OS |
|---|---|
| Molecular Weight | 204.06088 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.06088 |
| Monoisotopic Mass | 204.06088 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 6179-06-2 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=C(S2)C(=O)C)C |
| InChIKey | BPCHHUKWYHUXOD-UHFFFAOYSA-N |
Product Overview
2-Acetyl-3,7-dimethylbenzo(b)thiophene (CAS 6179-06-2), with molecular formula C12H12OS and molecular weight 204.06088 g/mol. IUPAC: 1-(3,7-dimethyl-1-benzothiophen-2-yl)ethanone.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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