3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one structure
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Common Name | 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one | ||
|---|---|---|---|---|
| CAS Number | 6516-91-2 | Molecular Weight | 193.26500 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C10H11NOS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: 3-Methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one (CAS号：6516-91-2), molecular formula C10H11NOS, molecular weight 193.26500. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-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 | C10H11NOS |
|---|---|
| Molecular Weight | 193.26500 |
| Exact Mass | 193.05600 |
| PSA | 57.89000 |
| LogP | 2.45200 |
| InChIKey | SQVZWOGDKSYYIC-UHFFFAOYSA-N |
| SMILES | CC1CSc2ccccc2NC1=O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~41%
3-methyl-3,5-di... CAS#:6516-91-2 |
| Literature: Bartolozzi, Alessandra; Foudoulakis, Hope M.; Cole, Bridget M. Synthesis, 2008 , # 13 p. 2023 - 2032 |
|
~78%
3-methyl-3,5-di... CAS#:6516-91-2 |
| Literature: Wang, Xiaoxia; Li, Zhifang; Zhu, Xiangming; Mao, Hui; Zou, Xuefei; Kong, Lichun; Li, Xinsheng Tetrahedron, 2008 , vol. 64, # 27 p. 6510 - 6521 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,3-dihydro-3-methyl-1,5-benzothiazepin-4(5H)-one |
| 1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-methyl |
| 3-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one |
| 3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| 3-Methyl-4-oxo-2,3,4,5-tetrahydro-benzohepta-1,5-thiazin |
| 3-methyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one |
| 3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one? |
| A: InChIKey of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is SQVZWOGDKSYYIC-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one? |
| A: Related upstream materials(CAS) of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one: 122686-59-3;137-07-5. |
| Q: What English synonyms does 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one have? |
| A: English synonyms of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one: 2,3-dihydro-3-methyl-1,5-benzothiazepin-4(5H)-one, 1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-methyl, 3-methyl-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one, 3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one, 3-Methyl-4-oxo-2,3,4,5-tetrahydro-benzohepta-1,5-thiazin, 3-methyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one, 3-methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one. |
| Q: What is the SMILES notation of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one? |
| A: SMILES notation of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is CC1CSc2ccccc2NC1=O. |
| Q: What is the LogP of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one? |
| A: LogP of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is 2.45200. |
| Q: What is the Chinese name of 6516-91-2? |
| A: Chinese name of 6516-91-2 is 6516-91-2. |
| Q: What is the molecular formula of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one? |
| A: Molecular formula of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is C10H11NOS. |
| Q: What is the molecular weight of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one? |
| A: Molecular weight of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is 193.26500. |
| Q: What is the polar surface area (PSA) of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one? |
| A: Polar surface area (PSA) of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is 57.89000. |
| Q: What is the CAS number of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one? |
| A: CAS number of 3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one is 6516-91-2. |