3-[(2-FLUOROPHENYL)THIO]PROPANOIC ACID
![3-[(2-FLUOROPHENYL)THIO]PROPANOIC ACID Structure](https://image.chemsrc.com/caspic/195/21243-09-4.png)
3-[(2-FLUOROPHENYL)THIO]PROPANOIC ACID structure
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Common Name | 3-[(2-FLUOROPHENYL)THIO]PROPANOIC ACID | ||
|---|---|---|---|---|
| CAS Number | 21243-09-4 | Molecular Weight | 200.23 | |
| Density | 1.3g/cm3 | Boiling Point | 323.6ºC at 760 mmHg | |
| Molecular Formula | C9H9FO2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 149.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(2-fluorophenyl)sulfanylpropanoate |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.3g/cm3 |
|---|---|
| Boiling Point | 323.6ºC at 760 mmHg |
| Molecular Formula | C9H9FO2S |
| Molecular Weight | 200.23 |
| Flash Point | 149.5ºC |
| Exact Mass | 200.03072886 |
| PSA | 65.43000 |
| LogP | 1.05780 |
| Vapour Pressure | 0.000107mmHg at 25°C |
| Index of Refraction | 1.573 |
| InChIKey | JPMXZLIXJBBIGL-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C(=C1)F)SCCC(=O)O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2930909090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-[(2-FLUOROPHE... CAS#:21243-09-4 |
| Literature: Song, Ya-Li; Yang, Tao; Dong, Yun-Fang; Wu, Fan; Yang, Geng-Liang Chemistry Letters, 2014 , vol. 43, # 1 p. 134 - 136 |
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3-[(2-FLUOROPHE... CAS#:21243-09-4 |
| Literature: ACTIVE BIOTECH AB Patent: US2004/116461 A1, 2004 ; |
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3-[(2-FLUOROPHE... CAS#:21243-09-4 |
| Literature: Grassi, David; Alexakis, Alexandre Angewandte Chemie - International Edition, 2013 , vol. 52, # 51 p. 13642 - 13646 Angew. Chem., 2013 , vol. 125, # 51 p. 13887 - 13891,5 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
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 contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: qHTS assay for inhibitors of human lactate dehydrogenase
Source: NCGC
Target: N/A
External Id: LDHA
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Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-FF
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Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-Ren
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 3-(2-fluorophenyl)sulfanylpropanoate? |
| A: LogP of 3-(2-fluorophenyl)sulfanylpropanoate is 1.05780. |
| Q: What are the upstream materials of 3-(2-fluorophenyl)sulfanylpropanoate? |
| A: Related upstream materials(CAS) of 3-(2-fluorophenyl)sulfanylpropanoate: 107-94-8;2557-78-0;79-10-7;590-92-1. |
| Q: What is the molecular weight of 3-(2-fluorophenyl)sulfanylpropanoate? |
| A: Molecular weight of 3-(2-fluorophenyl)sulfanylpropanoate is 200.23. |
| Q: What is the CAS number of 3-(2-fluorophenyl)sulfanylpropanoate? |
| A: CAS number of 3-(2-fluorophenyl)sulfanylpropanoate is 21243-09-4. |
| Q: What is the English name of 3-(2-fluorophenyl)sulfanylpropanoate? |
| A: The English name of 3-(2-fluorophenyl)sulfanylpropanoate is 3-(2-fluorophenyl)sulfanylpropanoate. |
| Q: What is the polar surface area (PSA) of 3-(2-fluorophenyl)sulfanylpropanoate? |
| A: Polar surface area (PSA) of 3-(2-fluorophenyl)sulfanylpropanoate is 65.43000. |
| Q: What is the molecular formula of 3-(2-fluorophenyl)sulfanylpropanoate? |
| A: Molecular formula of 3-(2-fluorophenyl)sulfanylpropanoate is C9H9FO2S. |
| Q: What is the boiling point of 3-(2-fluorophenyl)sulfanylpropanoate? |
| A: Boiling point of 3-(2-fluorophenyl)sulfanylpropanoate is 323.6ºC at 760 mmHg. |
| Q: What is the InChIKey of 3-(2-fluorophenyl)sulfanylpropanoate? |
| A: InChIKey of 3-(2-fluorophenyl)sulfanylpropanoate is JPMXZLIXJBBIGL-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 3-(2-fluorophenyl)sulfanylpropanoate? |
| A: SMILES notation of 3-(2-fluorophenyl)sulfanylpropanoate is C1=CC=C(C(=C1)F)SCCC(=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. |