1-(4-bromo-5-methylthiophen-2-yl)ethanone
1-(4-bromo-5-methylthiophen-2-yl)ethanone structure
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Common Name | 1-(4-bromo-5-methylthiophen-2-yl)ethanone | ||
|---|---|---|---|---|
| CAS Number | 36901-17-4 | Molecular Weight | 219.09900 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C7H7BrOS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(4-bromo-5-methylthiophen-2-yl)ethanone |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C7H7BrOS |
|---|---|
| Molecular Weight | 219.09900 |
| Exact Mass | 217.94000 |
| PSA | 45.31000 |
| LogP | 3.02160 |
| InChIKey | NFSSDAHKODWNNL-UHFFFAOYSA-N |
| SMILES | CC(=O)c1cc(Br)c(C)s1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~75%
1-(4-bromo-5-me... CAS#:36901-17-4 |
| Literature: Karlsson, Olle Synthetic Communications, 1981 , vol. 11, # 1 p. 29 - 34 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-Acetyl-3-brom-2-methylthiophen |
| 1-(4-Bromo-5-methyl-thiophen-2-yl)-ethanone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 1-(4-bromo-5-methylthiophen-2-yl)ethanone? |
| A: SMILES notation of 1-(4-bromo-5-methylthiophen-2-yl)ethanone is CC(=O)c1cc(Br)c(C)s1. |
| Q: What are the upstream materials of 1-(4-bromo-5-methylthiophen-2-yl)ethanone? |
| A: Related upstream materials(CAS) of 1-(4-bromo-5-methylthiophen-2-yl)ethanone: 13679-74-8. |
| Q: What is the polar surface area (PSA) of 1-(4-bromo-5-methylthiophen-2-yl)ethanone? |
| A: Polar surface area (PSA) of 1-(4-bromo-5-methylthiophen-2-yl)ethanone is 45.31000. |
| Q: What is the English name of 1-(4-bromo-5-methylthiophen-2-yl)ethanone? |
| A: The English name of 1-(4-bromo-5-methylthiophen-2-yl)ethanone is 1-(4-bromo-5-methylthiophen-2-yl)ethanone. |
| Q: What English synonyms does 1-(4-bromo-5-methylthiophen-2-yl)ethanone have? |
| A: English synonyms of 1-(4-bromo-5-methylthiophen-2-yl)ethanone: 5-Acetyl-3-brom-2-methylthiophen, 1-(4-Bromo-5-methyl-thiophen-2-yl)-ethanone. |
| Q: What is the CAS number of 1-(4-bromo-5-methylthiophen-2-yl)ethanone? |
| A: CAS number of 1-(4-bromo-5-methylthiophen-2-yl)ethanone is 36901-17-4. |
| Q: What is the LogP of 1-(4-bromo-5-methylthiophen-2-yl)ethanone? |
| A: LogP of 1-(4-bromo-5-methylthiophen-2-yl)ethanone is 3.02160. |
| Q: What is the molecular weight of 1-(4-bromo-5-methylthiophen-2-yl)ethanone? |
| A: Molecular weight of 1-(4-bromo-5-methylthiophen-2-yl)ethanone is 219.09900. |
| Q: What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)ethanone? |
| A: InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)ethanone is NFSSDAHKODWNNL-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 1-(4-bromo-5-methylthiophen-2-yl)ethanone? |
| A: Molecular formula of 1-(4-bromo-5-methylthiophen-2-yl)ethanone is C7H7BrOS. |