2-((phenylthio)methyl)pyridine
2-((phenylthio)methyl)pyridine structure
|
Common Name | 2-((phenylthio)methyl)pyridine | ||
|---|---|---|---|---|
| CAS Number | 71897-63-7 | Molecular Weight | 201.28700 | |
| Density | 1.15g/cm3 | Boiling Point | 324.7ºC at 760 mmHg | |
| Molecular Formula | C12H11NS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 150.2ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(phenylsulfanylmethyl)pyridine |
|---|---|
| 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 | 1.15g/cm3 |
|---|---|
| Boiling Point | 324.7ºC at 760 mmHg |
| Molecular Formula | C12H11NS |
| Molecular Weight | 201.28700 |
| Flash Point | 150.2ºC |
| Exact Mass | 201.06100 |
| PSA | 38.19000 |
| LogP | 3.37390 |
| Index of Refraction | 1.63 |
| InChIKey | OZURYZAHRAPLJF-UHFFFAOYSA-N |
| SMILES | c1ccc(SCc2ccccn2)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~97%
2-((phenylthio)... CAS#:71897-63-7 |
| Literature: ALLA CHEM, LLC; Ivachtchenko, Alexandre Vasilievich; Mitkin, Oleg Dmitrievich; Kadieva, Madina Georgievna Patent: US2013/267536 A1, 2013 ; Location in patent: Paragraph 0176 ; |
|
~95%
2-((phenylthio)... CAS#:71897-63-7 |
| Literature: Trost, Barry M.; Braslau, Rebecca Journal of Organic Chemistry, 1988 , vol. 53, # 3 p. 532 - 537 |
|
~%
2-((phenylthio)... CAS#:71897-63-7 |
| Literature: Jones, Roderick C.; Canty, Allan J.; Gardiner, Michael G.; Skelton, Brian W.; Tolhurst, Vicki-Anne; White, Allan H. Inorganica Chimica Acta, 2010 , vol. 363, # 1 p. 77 - 87 |
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~%
2-((phenylthio)... CAS#:71897-63-7 |
| Literature: Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham Lal; Singh, Ajai K. Dalton Transactions, 2013 , vol. 42, # 24 p. 8736 - 8747 |
|
~%
2-((phenylthio)... CAS#:71897-63-7 |
| Literature: Haviv, Fortuna; DeNet, Robert W.; Michaels, Raymond J.; Ratajczyk, James D.; Carter, George W.; Young, Patrick R. Journal of Medicinal Chemistry, 1983 , vol. 26, # 2 p. 218 - 222 |
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~37%
2-((phenylthio)... CAS#:71897-63-7 |
| Literature: Mentz; Modro Canadian Journal of Chemistry, 1994 , vol. 72, # 9 p. 1933 - 1960 |
|
~%
2-((phenylthio)... CAS#:71897-63-7 |
| Literature: Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham Lal; Singh, Ajai K. Dalton Transactions, 2013 , vol. 42, # 24 p. 8736 - 8747 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 1 | |
![2-[(Phenylsulfonyl)methyl]pyridine structure](https://image.chemsrc.com/caspic/092/1620-50-4.png)
CAS#:1620-50-4This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: ASTRAZENECA: Most basic pKa value (pKa B1) determined by absorption and potentiometri...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3301362
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Ptmp |
| 2-phenylsulfanylmethyl-pyridine |
| 2-phenylsulphanylmethylpyridine |
| Pyridine,2-((phenylthio)methyl) |
| 2-(phenyl-thiomethyl)-pyridine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the Chinese name of 71897-63-7? |
| A: Chinese name of 71897-63-7 is 71897-63-7. |
| Q: What is the molecular weight of 2-(phenylsulfanylmethyl)pyridine? |
| A: Molecular weight of 2-(phenylsulfanylmethyl)pyridine is 201.28700. |
| Q: What is the LogP of 2-(phenylsulfanylmethyl)pyridine? |
| A: LogP of 2-(phenylsulfanylmethyl)pyridine is 3.37390. |
| Q: What is the boiling point of 2-(phenylsulfanylmethyl)pyridine? |
| A: Boiling point of 2-(phenylsulfanylmethyl)pyridine is 324.7ºC at 760 mmHg. |
| Q: What is the SMILES notation of 2-(phenylsulfanylmethyl)pyridine? |
| A: SMILES notation of 2-(phenylsulfanylmethyl)pyridine is c1ccc(SCc2ccccn2)cc1. |
| Q: What are the downstream products of 2-(phenylsulfanylmethyl)pyridine? |
| A: Related downstream products(CAS) of 2-(phenylsulfanylmethyl)pyridine: 1620-50-4. |
| Q: What is the InChIKey of 2-(phenylsulfanylmethyl)pyridine? |
| A: InChIKey of 2-(phenylsulfanylmethyl)pyridine is OZURYZAHRAPLJF-UHFFFAOYSA-N. |
| Q: What is the English name of 2-(phenylsulfanylmethyl)pyridine? |
| A: The English name of 2-(phenylsulfanylmethyl)pyridine is 2-(phenylsulfanylmethyl)pyridine. |
| Q: What is the polar surface area (PSA) of 2-(phenylsulfanylmethyl)pyridine? |
| A: Polar surface area (PSA) of 2-(phenylsulfanylmethyl)pyridine is 38.19000. |
| Q: What is the molecular formula of 2-(phenylsulfanylmethyl)pyridine? |
| A: Molecular formula of 2-(phenylsulfanylmethyl)pyridine is C12H11NS. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |