4-methoxy-1-benzothiophene
4-methoxy-1-benzothiophene structure
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Common Name | 4-methoxy-1-benzothiophene | ||
|---|---|---|---|---|
| CAS Number | 3781-90-6 | Molecular Weight | 164.22400 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C9H8OS | 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 | 4-methoxy-1-benzothiophene |
|---|---|
| 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 | C9H8OS |
|---|---|
| Molecular Weight | 164.22400 |
| Exact Mass | 164.03000 |
| PSA | 37.47000 |
| LogP | 2.90990 |
| InChIKey | YPOBRGLUEDOCKJ-UHFFFAOYSA-N |
| SMILES | COc1cccc2sccc12 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn |
|---|---|
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~97%
4-methoxy-1-ben... CAS#:3781-90-6 |
| Literature: Mandal, Sasanka Sekhar; Samanta, Subhendu Sekhar; Deb, Chaitali; De, Asish Journal of the Chemical Society - Perkin Transactions 1, 1998 , # 16 p. 2559 - 2562 |
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~15%
4-methoxy-1-ben... CAS#:3781-90-6 |
| Literature: Industry-University Cooperation Foundation Sogang University Patent: US2010/261727 A1, 2010 ; Location in patent: Page/Page column 17 ; |
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~%
4-methoxy-1-ben... CAS#:3781-90-6 |
| Literature: LABORATOIRE THERAMEX Patent: WO2004/101545 A1, 2004 ; Location in patent: Page 12 ; |
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~82%
4-methoxy-1-ben... CAS#:3781-90-6 |
| Literature: Mukherjee, Chandrani; Kamila, Sukanta; De, Asish Tetrahedron, 2003 , vol. 59, # 26 p. 4767 - 4774 |
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~%
4-methoxy-1-ben... CAS#:3781-90-6 |
| Literature: Takeuchi, Kumiko; Kohn, Todd J.; Sall, Daniel J.; Denney, Michael L.; McCowan, Jefferson R.; Smith, Gerry F.; Gifford-Moore, Donetta S. Bioorganic and Medicinal Chemistry Letters, 1999 , vol. 9, # 5 p. 759 - 764 |
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~%
4-methoxy-1-ben... CAS#:3781-90-6 |
| Literature: Robertson; Krushinski; Beedle; et al. European Journal of Medicinal Chemistry, 1986 , vol. 21, # 3 p. 223 - 229 |
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~%
4-methoxy-1-ben... CAS#:3781-90-6 |
| Literature: Mukherjee, Chandrani; Kamila, Sukanta; De, Asish Tetrahedron, 2003 , vol. 59, # 26 p. 4767 - 4774 |
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~%
4-methoxy-1-ben... CAS#:3781-90-6 |
| Literature: Mukherjee, Chandrani; Kamila, Sukanta; De, Asish Tetrahedron, 2003 , vol. 59, # 26 p. 4767 - 4774 |
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~%
4-methoxy-1-ben... CAS#:3781-90-6 |
| Literature: SMITHKLINE BEECHAM CORPORATION Patent: WO2008/157270 A1, 2008 ; |
![2,3-dihydro-4-methoxybenzo[b]thiophen-3-one structure](https://image.chemsrc.com/caspic/241/220418-03-1.png)
![1-[(2,2-dimethoxyethyl)thio]-3-methoxy-Benzene structure](https://image.chemsrc.com/caspic/249/98733-08-5.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 2 | |
![4,7-Dihydrobenzo[b]thiophene-4,7-dione structure](https://image.chemsrc.com/caspic/058/73630-87-2.png)
CAS#:73630-87-2![4,7-dimethoxybenzo[b]thiophene structure](https://image.chemsrc.com/caspic/041/68452-01-7.png)
CAS#:68452-01-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-methoxybenzothiophene |
| 4-methoxybenzthiol |
| Benzo[b]thiophene,4-methoxy |
| 4-(methyloxy)-1-benzothiophene |
| 4-methoxybenzo[b]thiophene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 4-methoxy-1-benzothiophene? |
| A: InChIKey of 4-methoxy-1-benzothiophene is YPOBRGLUEDOCKJ-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 4-methoxy-1-benzothiophene? |
| A: Polar surface area (PSA) of 4-methoxy-1-benzothiophene is 37.47000. |
| Q: What is the molecular formula of 4-methoxy-1-benzothiophene? |
| A: Molecular formula of 4-methoxy-1-benzothiophene is C9H8OS. |
| Q: What are the downstream products of 4-methoxy-1-benzothiophene? |
| A: Related downstream products(CAS) of 4-methoxy-1-benzothiophene: 73630-87-2;68452-01-7. |
| Q: What is the molecular weight of 4-methoxy-1-benzothiophene? |
| A: Molecular weight of 4-methoxy-1-benzothiophene is 164.22400. |
| Q: What are the upstream materials of 4-methoxy-1-benzothiophene? |
| A: Related upstream materials(CAS) of 4-methoxy-1-benzothiophene: 3610-02-4;74-88-4;96803-85-9;220418-03-1;15570-12-4;51674-10-3;596805-18-4. |
| Q: What is the CAS number of 4-methoxy-1-benzothiophene? |
| A: CAS number of 4-methoxy-1-benzothiophene is 3781-90-6. |
| Q: What is the LogP of 4-methoxy-1-benzothiophene? |
| A: LogP of 4-methoxy-1-benzothiophene is 2.90990. |
| Q: What English synonyms does 4-methoxy-1-benzothiophene have? |
| A: English synonyms of 4-methoxy-1-benzothiophene: 4-methoxybenzothiophene, 4-methoxybenzthiol, Benzo[b]thiophene,4-methoxy, 4-(methyloxy)-1-benzothiophene, 4-methoxybenzo[b]thiophene. |
| Q: What is the SMILES notation of 4-methoxy-1-benzothiophene? |
| A: SMILES notation of 4-methoxy-1-benzothiophene is COc1cccc2sccc12. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |