Benzene, 1-ethynyl-3-(methylthio)- (9CI)
Benzene, 1-ethynyl-3-(methylthio)- (9CI) structure
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Common Name | Benzene, 1-ethynyl-3-(methylthio)- (9CI) | ||
|---|---|---|---|---|
| CAS Number | 210905-75-2 | Molecular Weight | 148.22500 | |
| Density | 1.07±0.1 g/cm3(Predicted) | Boiling Point | 232.7±23.0 °C(Predicted) | |
| Molecular Formula | C9H8S | 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 | 1-ethynyl-3-methylsulfanylbenzene |
|---|---|
| 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 | 1.07±0.1 g/cm3(Predicted) |
|---|---|
| Boiling Point | 232.7±23.0 °C(Predicted) |
| Molecular Formula | C9H8S |
| Molecular Weight | 148.22500 |
| Exact Mass | 148.03500 |
| PSA | 25.30000 |
| LogP | 2.38980 |
| InChIKey | GIRFUCHVWOPTDM-UHFFFAOYSA-N |
| SMILES | C#Cc1cccc(SC)c1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~78%
Benzene, 1-ethy... CAS#:210905-75-2 |
| Literature: Chowdhury, Morshed Alam; Dong, Ying; Chen, Qiao-Hong; Abdellatif, Khaled R.A.; Knaus, Edward E. Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 4 p. 1948 - 1956 |
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~%
Benzene, 1-ethy... CAS#:210905-75-2 |
| Literature: Mongin, Olivier; Papamicael, Cyril; Hoyler, Nicolas; Gossauer, Albert Journal of Organic Chemistry, 1998 , vol. 63, # 16 p. 5568 - 5580 |
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~%
Benzene, 1-ethy... CAS#:210905-75-2 |
| Literature: Mongin, Olivier; Papamicael, Cyril; Hoyler, Nicolas; Gossauer, Albert Journal of Organic Chemistry, 1998 , vol. 63, # 16 p. 5568 - 5580 |
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.
| MFCD17281925 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 1-ethynyl-3-methylsulfanylbenzene? |
| A: The English name of 1-ethynyl-3-methylsulfanylbenzene is 1-ethynyl-3-methylsulfanylbenzene. |
| Q: What is the SMILES notation of 1-ethynyl-3-methylsulfanylbenzene? |
| A: SMILES notation of 1-ethynyl-3-methylsulfanylbenzene is C#Cc1cccc(SC)c1. |
| Q: What is the InChIKey of 1-ethynyl-3-methylsulfanylbenzene? |
| A: InChIKey of 1-ethynyl-3-methylsulfanylbenzene is GIRFUCHVWOPTDM-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 1-ethynyl-3-methylsulfanylbenzene? |
| A: Molecular formula of 1-ethynyl-3-methylsulfanylbenzene is C9H8S. |
| Q: What English synonyms does 1-ethynyl-3-methylsulfanylbenzene have? |
| A: English synonyms of 1-ethynyl-3-methylsulfanylbenzene: MFCD17281925. |
| Q: What is the boiling point of 1-ethynyl-3-methylsulfanylbenzene? |
| A: Boiling point of 1-ethynyl-3-methylsulfanylbenzene is 232.7±23.0 °C(Predicted). |
| Q: What is the molecular weight of 1-ethynyl-3-methylsulfanylbenzene? |
| A: Molecular weight of 1-ethynyl-3-methylsulfanylbenzene is 148.22500. |
| Q: What is the LogP of 1-ethynyl-3-methylsulfanylbenzene? |
| A: LogP of 1-ethynyl-3-methylsulfanylbenzene is 2.38980. |
| Q: What are the upstream materials of 1-ethynyl-3-methylsulfanylbenzene? |
| A: Related upstream materials(CAS) of 1-ethynyl-3-methylsulfanylbenzene: 33733-73-2;130416-73-8. |
| Q: What is the CAS number of 1-ethynyl-3-methylsulfanylbenzene? |
| A: CAS number of 1-ethynyl-3-methylsulfanylbenzene is 210905-75-2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |