3-(Benzoylthio)-2-methylpropanoic acid
3-(Benzoylthio)-2-methylpropanoic acid structure
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Common Name | 3-(Benzoylthio)-2-methylpropanoic acid | ||
|---|---|---|---|---|
| CAS Number | 74431-50-8 | Molecular Weight | 224.276 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 367.5±34.0 °C at 760 mmHg | |
| Molecular Formula | C11H12O3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 176.0±25.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(Benzoylthio)-2-methylpropanoic acid |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 367.5±34.0 °C at 760 mmHg |
| Molecular Formula | C11H12O3S |
| Molecular Weight | 224.276 |
| Flash Point | 176.0±25.7 °C |
| Exact Mass | 224.050720 |
| PSA | 79.67000 |
| LogP | 2.39 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.580 |
| InChIKey | BCAYPPFBOJCRPN-UHFFFAOYSA-N |
| SMILES | CC(CSC(=O)c1ccccc1)C(=O)O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-(Benzoylthio)... CAS#:74431-50-8 |
| Literature: Chemical and Pharmaceutical Bulletin, , vol. 29, # 4 p. 940 - 947 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 1 | |
CAS#:72679-02-8This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-(Benzoylsulfanyl)-2-methylpropanoic acid |
| 3-benzoylsulfanyl-2-methylpropanoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 3-(Benzoylthio)-2-methylpropanoic acid? |
| A: CAS number of 3-(Benzoylthio)-2-methylpropanoic acid is 74431-50-8. |
| Q: What are the downstream products of 3-(Benzoylthio)-2-methylpropanoic acid? |
| A: Related downstream products(CAS) of 3-(Benzoylthio)-2-methylpropanoic acid: 72679-02-8. |
| Q: What is the English name of 3-(Benzoylthio)-2-methylpropanoic acid? |
| A: The English name of 3-(Benzoylthio)-2-methylpropanoic acid is 3-(Benzoylthio)-2-methylpropanoic acid. |
| Q: What is the boiling point of 3-(Benzoylthio)-2-methylpropanoic acid? |
| A: Boiling point of 3-(Benzoylthio)-2-methylpropanoic acid is 367.5±34.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 3-(Benzoylthio)-2-methylpropanoic acid? |
| A: Polar surface area (PSA) of 3-(Benzoylthio)-2-methylpropanoic acid is 79.67000. |
| Q: What English synonyms does 3-(Benzoylthio)-2-methylpropanoic acid have? |
| A: English synonyms of 3-(Benzoylthio)-2-methylpropanoic acid: 3-(Benzoylsulfanyl)-2-methylpropanoic acid, 3-benzoylsulfanyl-2-methylpropanoic acid. |
| Q: What is the InChIKey of 3-(Benzoylthio)-2-methylpropanoic acid? |
| A: InChIKey of 3-(Benzoylthio)-2-methylpropanoic acid is BCAYPPFBOJCRPN-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 3-(Benzoylthio)-2-methylpropanoic acid? |
| A: Related upstream materials(CAS) of 3-(Benzoylthio)-2-methylpropanoic acid: 98-91-9;79-41-4. |
| Q: What is the molecular formula of 3-(Benzoylthio)-2-methylpropanoic acid? |
| A: Molecular formula of 3-(Benzoylthio)-2-methylpropanoic acid is C11H12O3S. |
| Q: What is the SMILES notation of 3-(Benzoylthio)-2-methylpropanoic acid? |
| A: SMILES notation of 3-(Benzoylthio)-2-methylpropanoic acid is CC(CSC(=O)c1ccccc1)C(=O)O. |
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. |
| Henan Tianfu Chemical Co., Ltd. |