[3-Chloro-4-(methylsulfanyl)phenyl]acetic acid
![[3-Chloro-4-(methylsulfanyl)phenyl]acetic acid Structure](https://image.chemsrc.com/caspic/255/87776-75-8.png)
[3-Chloro-4-(methylsulfanyl)phenyl]acetic acid structure
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Common Name | [3-Chloro-4-(methylsulfanyl)phenyl]acetic acid | ||
|---|---|---|---|---|
| CAS Number | 87776-75-8 | Molecular Weight | 216.685 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 351.2±37.0 °C at 760 mmHg | |
| Molecular Formula | C9H9ClO2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 166.2±26.5 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(3-chloro-4-methylsulfanylphenyl)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.
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 351.2±37.0 °C at 760 mmHg |
| Molecular Formula | C9H9ClO2S |
| Molecular Weight | 216.685 |
| Flash Point | 166.2±26.5 °C |
| Exact Mass | 216.001175 |
| PSA | 62.60000 |
| LogP | 2.75 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.611 |
| InChIKey | RUUPIFBYMDGMPN-UHFFFAOYSA-N |
| SMILES | CSc1ccc(CC(=O)O)cc1Cl |
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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| Literature: WO2007/96034 A1, ; Page/Page column 13 ; |
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| Literature: Journal of Medicinal Chemistry, , vol. 55, # 16 p. 7021 - 7036 |
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| Literature: Journal of Medicinal Chemistry, , vol. 55, # 16 p. 7021 - 7036 |
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| Literature: WO2013/68464 A1, ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 3 | |
![Methyl [3-chloro-4-(methylsulfanyl)phenyl]acetate structure](https://image.chemsrc.com/caspic/072/436141-65-0.png)
CAS#:436141-65-0
CAS#:625113-52-2![(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-pyrazin-2-ylpropanamide structure](https://image.chemsrc.com/caspic/104/625114-41-2.png)
CAS#:625114-41-2This 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-Chloro-4-(methylsulfanyl)phenyl]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 2-(3-chloro-4-methylsulfanylphenyl)acetic acid? |
| A: CAS number of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid is 87776-75-8. |
| Q: What is the English name of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid? |
| A: The English name of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid is 2-(3-chloro-4-methylsulfanylphenyl)acetic acid. |
| Q: What is the LogP of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid? |
| A: LogP of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid is 2.75. |
| Q: What English synonyms does 2-(3-chloro-4-methylsulfanylphenyl)acetic acid have? |
| A: English synonyms of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid: [3-Chloro-4-(methylsulfanyl)phenyl]acetic acid. |
| Q: What is the InChIKey of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid? |
| A: InChIKey of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid is RUUPIFBYMDGMPN-UHFFFAOYSA-N. |
| Q: What is the boiling point of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid? |
| A: Boiling point of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid is 351.2±37.0 °C at 760 mmHg. |
| Q: What are the upstream materials of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid? |
| A: Related upstream materials(CAS) of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid: 17733-22-1;393165-02-1. |
| Q: What is the polar surface area (PSA) of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid? |
| A: Polar surface area (PSA) of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid is 62.60000. |
| Q: What are the downstream products of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid? |
| A: Related downstream products(CAS) of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid: 436141-65-0;625113-52-2;625114-41-2. |
| Q: What is the molecular formula of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid? |
| A: Molecular formula of 2-(3-chloro-4-methylsulfanylphenyl)acetic acid is C9H9ClO2S. |
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. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: 2-(3-Chloro-4-(methylthio)phenyl)acetic acid
- Price: Check
- Purity: 98.0%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 3-CHLORO-4-(METHYLTHIO)PHENYLACETIC
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: [3-Chloro-4-(methylsulfanyl)phenyl]acetic acid
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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