4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione
4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione structure
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Common Name | 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione | ||
|---|---|---|---|---|
| CAS Number | 105686-75-7 | Molecular Weight | 237.23800 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C8H7N5O2S | 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 | 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione |
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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 | C8H7N5O2S |
|---|---|
| Molecular Weight | 237.23800 |
| Exact Mass | 237.03200 |
| PSA | 141.35000 |
| LogP | 1.96020 |
| InChIKey | MYZCVKKDFACSHA-UHFFFAOYSA-N |
| SMILES | Nn1c(-c2cccc([N+](=O)[O-])c2)n[nH]c1=S |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~81%
4-amino-3-(3-ni... CAS#:105686-75-7 |
| Literature: Hasan, Aurangzeb; Akhtar, Mohammad Nadeem; Gapil, Shelly Asian Journal of Chemistry, 2011 , vol. 23, # 12 p. 5471 - 5476 |
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4-amino-3-(3-ni... CAS#:105686-75-7 |
| Literature: Haijian, Shi; Zhongyi, Wang; Haoxin, Shi Synthetic Communications, 1998 , vol. 28, # 21 p. 3973 - 3982 |
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~%
4-amino-3-(3-ni... CAS#:105686-75-7 |
| Literature: Hasan, Aurangzeb; Sheikh, Md Rezaul Karim; Gapil, Shelly Asian Journal of Chemistry, 2012 , vol. 24, # 6 p. 2573 - 2578 |
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~%
4-amino-3-(3-ni... CAS#:105686-75-7 |
| Literature: Hasan, Aurangzeb; Akhtar, Mohammad Nadeem; Gapil, Shelly Asian Journal of Chemistry, 2011 , vol. 23, # 12 p. 5471 - 5476 |
|
~%
4-amino-3-(3-ni... CAS#:105686-75-7 |
| Literature: Haijian, Shi; Zhongyi, Wang; Haoxin, Shi Synthetic Communications, 1998 , vol. 28, # 21 p. 3973 - 3982 |
|
~%
4-amino-3-(3-ni... CAS#:105686-75-7 |
| Literature: Chen, Xiqing; Liu, Chenjiang; Wang, Jide; Li, Yanping Journal of Heterocyclic Chemistry, 2010 , vol. 47, # 5 p. 1225 - 1229 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 0 | |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione? |
| A: Polar surface area (PSA) of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione is 141.35000. |
| Q: What is the Chinese name of 105686-75-7? |
| A: Chinese name of 105686-75-7 is 105686-75-7. |
| Q: What is the English name of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione? |
| A: The English name of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione is 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione. |
| Q: What is the CAS number of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione? |
| A: CAS number of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione is 105686-75-7. |
| Q: What is the molecular formula of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione? |
| A: Molecular formula of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione is C8H7N5O2S. |
| Q: What is the SMILES notation of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione? |
| A: SMILES notation of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione is Nn1c(-c2cccc([N+](=O)[O-])c2)n[nH]c1=S. |
| Q: What is the molecular weight of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione? |
| A: Molecular weight of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione is 237.23800. |
| Q: What is the InChIKey of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione? |
| A: InChIKey of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione is MYZCVKKDFACSHA-UHFFFAOYSA-N. |
| Q: What is the LogP of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione? |
| A: LogP of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione is 1.96020. |
| Q: What are the upstream materials of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione? |
| A: Related upstream materials(CAS) of 4-amino-3-(3-nitrophenyl)-1H-1,2,4-triazole-5-thione: 41421-07-2;618-94-0;121-92-6;618-95-1;618-98-4;75-15-0. |