3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one
![3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one Structure](https://image.chemsrc.com/caspic/336/3159-05-5.png)
3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one structure
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Common Name | 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one | ||
|---|---|---|---|---|
| CAS Number | 3159-05-5 | Molecular Weight | 257.30800 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C14H11NO2S | 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 | 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one |
|---|---|
| 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 | C14H11NO2S |
|---|---|
| Molecular Weight | 257.30800 |
| Exact Mass | 257.05100 |
| PSA | 67.12000 |
| LogP | 3.23170 |
| InChIKey | VQHHICPQRNCAQZ-UHFFFAOYSA-N |
| SMILES | COc1ccc2c(c1)NC(=O)c1ccccc1S2 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-methoxy-5H-be... CAS#:3159-05-5 |
| Literature: Binaschi, Monica; Boldetti, Andrea; Gianni, Maurizio; Maggi, Carlo Alberto; Gensini, Martina; Bigioni, Mario; Parlani, Massimo; Giolitti, Alessandro; Fratelli, Maddalena; Valli, Claudia; Terao, Mineko; Garattini, Enrico ACS Medicinal Chemistry Letters, 2010 , vol. 1, # 8 p. 411 - 415 |
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3-methoxy-5H-be... CAS#:3159-05-5 |
| Literature: Jaques et al. Helvetica Chimica Acta, 1959 , vol. 42, p. 1265,1269,1272 |
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3-methoxy-5H-be... CAS#:3159-05-5 |
| Literature: Bennett,O.F. et al. Journal of Heterocyclic Chemistry, 1975 , vol. 12, p. 1211 - 1213 |
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3-methoxy-5H-be... CAS#:3159-05-5 |
| Literature: Bennett,O.F. et al. Journal of Heterocyclic Chemistry, 1975 , vol. 12, p. 1211 - 1213 |
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~%
3-methoxy-5H-be... CAS#:3159-05-5 |
| Literature: Bennett,O.F. et al. Journal of Heterocyclic Chemistry, 1975 , vol. 12, p. 1211 - 1213 |
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3-methoxy-5H-be... CAS#:3159-05-5 |
| Literature: Jaques et al. Helvetica Chimica Acta, 1959 , vol. 42, p. 1265,1269,1272 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 8-Methoxy-10.11-dihydro-11-oxo-dibenz<b.f>-1.4-thiazepin |
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 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one? |
| A: SMILES notation of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one is COc1ccc2c(c1)NC(=O)c1ccccc1S2. |
| Q: What is the polar surface area (PSA) of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one? |
| A: Polar surface area (PSA) of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one is 67.12000. |
| Q: What is the InChIKey of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one? |
| A: InChIKey of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one is VQHHICPQRNCAQZ-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one? |
| A: Molecular formula of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one is C14H11NO2S. |
| Q: What is the English name of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one? |
| A: The English name of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one is 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one. |
| Q: What are the upstream materials of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one? |
| A: Related upstream materials(CAS) of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one: 58755-68-3;101097-94-3;58755-67-2;58755-70-7;4892-02-8;101090-43-1. |
| Q: What English synonyms does 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one have? |
| A: English synonyms of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one: 8-Methoxy-10.11-dihydro-11-oxo-dibenz-1.4-thiazepin. |
| Q: What is the CAS number of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one? |
| A: CAS number of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one is 3159-05-5. |
| Q: What is the Chinese name of 3159-05-5? |
| A: Chinese name of 3159-05-5 is 3159-05-5. |
| Q: What is the LogP of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one? |
| A: LogP of 3-methoxy-5H-benzo[b][1,4]benzothiazepin-6-one is 3.23170. |