8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide
8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide structure
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Common Name | 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide | ||
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| CAS Number | 76293-58-8 | Molecular Weight | 309.83400 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C14H12ClNOS2 | 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 | 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C14H12ClNOS2 |
|---|---|
| Molecular Weight | 309.83400 |
| Exact Mass | 309.00500 |
| PSA | 76.88000 |
| LogP | 4.72500 |
| InChIKey | SUIBMEWGOKXNIC-UHFFFAOYSA-N |
| SMILES | O=S1CCCC(c2cccs2)=Nc2cc(Cl)ccc21 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
8-chloro-5-thio... CAS#:76293-58-8 |
| Literature: Press, Jeffery B.; Eudy, Nancy H. Journal of Organic Chemistry, 1984 , vol. 49, # 1 p. 116 - 122 |
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~%
8-chloro-5-thio... CAS#:76293-58-8 |
| Literature: Press, Jeffery B.; Eudy, Nancy H. Journal of Organic Chemistry, 1984 , vol. 49, # 1 p. 116 - 122 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide? |
| A: InChIKey of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide is SUIBMEWGOKXNIC-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide? |
| A: SMILES notation of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide is O=S1CCCC(c2cccs2)=Nc2cc(Cl)ccc21. |
| Q: What is the CAS number of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide? |
| A: CAS number of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide is 76293-58-8. |
| Q: What is the English name of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide? |
| A: The English name of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide is 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide. |
| Q: What are the upstream materials of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide? |
| A: Related upstream materials(CAS) of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide: 76293-50-0;87696-88-6. |
| Q: What is the polar surface area (PSA) of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide? |
| A: Polar surface area (PSA) of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide is 76.88000. |
| Q: What is the Chinese name of 76293-58-8? |
| A: Chinese name of 76293-58-8 is 76293-58-8. |
| Q: What is the molecular formula of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide? |
| A: Molecular formula of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide is C14H12ClNOS2. |
| Q: What is the molecular weight of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide? |
| A: Molecular weight of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide is 309.83400. |
| Q: What is the LogP of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide? |
| A: LogP of 8-chloro-5-thiophen-2-yl-3,4-dihydro-2H-1λ4,6-benzothiazocine 1-oxide is 4.72500. |