2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile
![2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile Structure](https://image.chemsrc.com/caspic/466/649569-58-4.png)
2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile structure
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Common Name | 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile | ||
|---|---|---|---|---|
| CAS Number | 649569-58-4 | Molecular Weight | 213.29800 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C13H11NS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: The Chinese name of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile is 2-[(4-methylphenyl)-thiophen-3-yl]acetonitrile, with an English name of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile, CAS number 649569-58-4, molecular formula C13H11NS, and molecular weight 213.29800. 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 | 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile |
|---|---|
| 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 | C13H11NS |
|---|---|
| Molecular Weight | 213.29800 |
| Exact Mass | 213.06100 |
| PSA | 52.03000 |
| LogP | 3.78958 |
| InChIKey | RAOILKNIEDCRTH-UHFFFAOYSA-N |
| SMILES | Cc1ccc(-c2cc(CC#N)cs2)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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2-[5-(4-methylp... CAS#:649569-58-4 |
| Literature: Noguchi, Toshiya; Hasegawa, Masahiro; Tomisawa, Kazuyuki; Mitsukuchi, Morihiro Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 22 p. 4729 - 4742 |
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2-[5-(4-methylp... CAS#:649569-58-4 |
| Literature: Noguchi, Toshiya; Hasegawa, Masahiro; Tomisawa, Kazuyuki; Mitsukuchi, Morihiro Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 22 p. 4729 - 4742 |
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~%
2-[5-(4-methylp... CAS#:649569-58-4 |
| Literature: Noguchi, Toshiya; Hasegawa, Masahiro; Tomisawa, Kazuyuki; Mitsukuchi, Morihiro Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 22 p. 4729 - 4742 |
|
~%
2-[5-(4-methylp... CAS#:649569-58-4 |
| Literature: Noguchi, Toshiya; Hasegawa, Masahiro; Tomisawa, Kazuyuki; Mitsukuchi, Morihiro Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 22 p. 4729 - 4742 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Thiopheneacetonitrile,5-(4-methylphenyl) |
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 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile? |
| A: SMILES notation of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile is Cc1ccc(-c2cc(CC#N)cs2)cc1. |
| Q: What is the molecular weight of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile? |
| A: Molecular weight of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile is 213.29800. |
| Q: What is the English name of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile? |
| A: The English name of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile is 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile. |
| Q: What is the InChIKey of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile? |
| A: InChIKey of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile is RAOILKNIEDCRTH-UHFFFAOYSA-N. |
| Q: What is the Chinese name of 649569-58-4? |
| A: Chinese name of 649569-58-4 is 649569-58-4. |
| Q: What is the LogP of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile? |
| A: LogP of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile is 3.78958. |
| Q: What are the upstream materials of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile? |
| A: Related upstream materials(CAS) of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile: 151-50-8;649569-67-5;101973-77-7. |
| Q: What is the polar surface area (PSA) of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile? |
| A: Polar surface area (PSA) of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile is 52.03000. |
| Q: What is the CAS number of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile? |
| A: CAS number of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile is 649569-58-4. |
| Q: What is the molecular formula of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile? |
| A: Molecular formula of 2-[5-(4-methylphenyl)thiophen-3-yl]acetonitrile is C13H11NS. |