(3-Fluoro-phenylsulfanyl)-acetic acid
(3-Fluoro-phenylsulfanyl)-acetic acid structure
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Common Name | (3-Fluoro-phenylsulfanyl)-acetic acid | ||
|---|---|---|---|---|
| CAS Number | 331-55-5 | Molecular Weight | 186.20300 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C8H7FO2S | 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 | [(3-Fluorophenyl)sulfanyl]acetic 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.
| Molecular Formula | C8H7FO2S |
|---|---|
| Molecular Weight | 186.20300 |
| Exact Mass | 186.01500 |
| PSA | 62.60000 |
| LogP | 2.00240 |
| InChIKey | JDPSVGKEJKYOAZ-UHFFFAOYSA-N |
| SMILES | O=C(O)CSc1cccc(F)c1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2930909090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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(3-Fluoro-pheny... CAS#:331-55-5 |
| Literature: Okaecwe, Thokozile; Swanepoel, Abraham J.; Petzer, Anel; Bergh, Jacobus J.; Petzer, Jacobus P. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 14 p. 4336 - 4347 |
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~%
(3-Fluoro-pheny... CAS#:331-55-5 |
| Literature: Subramaniam, Perumal; Selvi, Natesan Thamil; Devi, Soundarapandian Sugirtha Journal of the Korean Chemical Society, 2014 , vol. 58, # 1 p. 17 - 24 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-fluorophenyl piperazinyl ketone |
| S-<3-Fluor-phenyl>-mercaptoessigsaeure |
| m-Fluorphenylthioglycolsaeure |
| 3-Fluorobenzoylpiperazine |
| (3-fluoro-phenylsulfanyl)-acetic acid |
| 1-(3-fluorobenzoyl)piperazine |
| (3-fluorophenyl)piperazin-1-yl-methanone |
| 3-Fluor-phenylmercapto-essigsaeure |
| [(3-Fluorophenyl)thio]acetic acid |
| 2-[(3-fluorophenyl)sulfanyl]acetic 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-Fluorophenyl)sulfanyl]acetic acid? |
| A: CAS number of [(3-Fluorophenyl)sulfanyl]acetic acid is 331-55-5. |
| Q: What is the InChIKey of [(3-Fluorophenyl)sulfanyl]acetic acid? |
| A: InChIKey of [(3-Fluorophenyl)sulfanyl]acetic acid is JDPSVGKEJKYOAZ-UHFFFAOYSA-N. |
| Q: What is the molecular weight of [(3-Fluorophenyl)sulfanyl]acetic acid? |
| A: Molecular weight of [(3-Fluorophenyl)sulfanyl]acetic acid is 186.20300. |
| Q: What is the Chinese name of 331-55-5? |
| A: Chinese name of 331-55-5 is 331-55-5. |
| Q: What is the LogP of [(3-Fluorophenyl)sulfanyl]acetic acid? |
| A: LogP of [(3-Fluorophenyl)sulfanyl]acetic acid is 2.00240. |
| Q: What is the polar surface area (PSA) of [(3-Fluorophenyl)sulfanyl]acetic acid? |
| A: Polar surface area (PSA) of [(3-Fluorophenyl)sulfanyl]acetic acid is 62.60000. |
| Q: What is the molecular formula of [(3-Fluorophenyl)sulfanyl]acetic acid? |
| A: Molecular formula of [(3-Fluorophenyl)sulfanyl]acetic acid is C8H7FO2S. |
| Q: What is the SMILES notation of [(3-Fluorophenyl)sulfanyl]acetic acid? |
| A: SMILES notation of [(3-Fluorophenyl)sulfanyl]acetic acid is O=C(O)CSc1cccc(F)c1. |
| Q: What English synonyms does [(3-Fluorophenyl)sulfanyl]acetic acid have? |
| A: English synonyms of [(3-Fluorophenyl)sulfanyl]acetic acid: 3-fluorophenyl piperazinyl ketone, S--mercaptoessigsaeure, m-Fluorphenylthioglycolsaeure, 3-Fluorobenzoylpiperazine, (3-fluoro-phenylsulfanyl)-acetic acid, 1-(3-fluorobenzoyl)piperazine, (3-fluorophenyl)piperazin-1-yl-methanone, 3-Fluor-phenylmercapto-essigsaeure, [(3-Fluorophenyl)thio]acetic acid, 2-[(3-fluorophenyl)sulfanyl]acetic acid. |
| Q: What is the English name of [(3-Fluorophenyl)sulfanyl]acetic acid? |
| A: The English name of [(3-Fluorophenyl)sulfanyl]acetic acid is [(3-Fluorophenyl)sulfanyl]acetic acid. |
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. |