1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone
1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone structure
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Common Name | 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone | ||
|---|---|---|---|---|
| CAS Number | 76273-52-4 | Molecular Weight | 219.30300 | |
| Density | 1.163g/cm3 | Boiling Point | 341.326ºC at 760 mmHg | |
| Molecular Formula | C12H13NOS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 160.228ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(3,7-dimethyl-4H-1,4-benzothiazin-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.
| Density | 1.163g/cm3 |
|---|---|
| Boiling Point | 341.326ºC at 760 mmHg |
| Molecular Formula | C12H13NOS |
| Molecular Weight | 219.30300 |
| Flash Point | 160.228ºC |
| Exact Mass | 219.07200 |
| PSA | 54.40000 |
| LogP | 3.47110 |
| Index of Refraction | 1.59 |
| InChIKey | CKXVYXAFOXWNIE-UHFFFAOYSA-N |
| SMILES | CC(=O)C1=C(C)Nc2ccc(C)cc2S1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2934999090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~93%
1-(3,7-dimethyl... CAS#:76273-52-4 |
| Literature: Dandia, Anshu; Sarawgi, Pritima; Hursthouse, Michael B.; Bingham, Ann L.; Light, Mark E.; Drake, John E.; Ratnani, Raju Journal of Chemical Research, 2006 , # 7 p. 445 - 448 |
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~78%
1-(3,7-dimethyl... CAS#:76273-52-4 |
| Literature: Ingle; Sawale; Mane Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2001 , vol. 40, # 2 p. 124 - 128 |
|
~81%
1-(3,7-dimethyl... CAS#:76273-52-4 |
| Literature: Paul; Gupta; Loupy; Rani; Dandia Synthetic Communications, 2001 , vol. 31, # 5 p. 711 - 717 |
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~%
1-(3,7-dimethyl... CAS#:76273-52-4 |
| Literature: Gupta, R. R.; Ojha, K. G.; Kalwania, G. S.; Kumar, M. Heterocycles, 1980 , vol. 14, # 8 p. 1145 - 1149 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 0 | |
This 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.
| 2-acetyl-3,7-dimethyl-4H-1,4-benzothiazine |
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-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone? |
| A: SMILES notation of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone is CC(=O)C1=C(C)Nc2ccc(C)cc2S1. |
| Q: What is the English name of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone? |
| A: The English name of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone is 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone. |
| Q: What is the molecular weight of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone? |
| A: Molecular weight of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone is 219.30300. |
| Q: What is the CAS number of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone? |
| A: CAS number of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone is 76273-52-4. |
| Q: What is the molecular formula of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone? |
| A: Molecular formula of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone is C12H13NOS. |
| Q: What is the boiling point of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone? |
| A: Boiling point of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone is 341.326ºC at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone? |
| A: Polar surface area (PSA) of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone is 54.40000. |
| Q: What are the upstream materials of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone? |
| A: Related upstream materials(CAS) of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone: 123-54-6;23451-96-9;1694-29-7;72036-58-9;2536-91-6. |
| Q: What is the InChIKey of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone? |
| A: InChIKey of 1-(3,7-dimethyl-4H-1,4-benzothiazin-2-yl)ethanone is CKXVYXAFOXWNIE-UHFFFAOYSA-N. |
| Q: What is the Chinese name of 76273-52-4? |
| A: Chinese name of 76273-52-4 is 76273-52-4. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |