3-(Methylthio)phenyl acetic acid
3-(Methylthio)phenyl acetic acid structure
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Common Name | 3-(Methylthio)phenyl acetic acid | ||
|---|---|---|---|---|
| CAS Number | 18698-73-2 | Molecular Weight | 182.23900 | |
| Density | 1.23g/cm3 | Boiling Point | 333.7ºC at 760mmHg | |
| Molecular Formula | C9H10O2S | Melting Point | 77-81ºC(lit.) | |
| MSDS | USA | Flash Point | 155.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(3-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 | 1.23g/cm3 |
|---|---|
| Boiling Point | 333.7ºC at 760mmHg |
| Melting Point | 77-81ºC(lit.) |
| Molecular Formula | C9H10O2S |
| Molecular Weight | 182.23900 |
| Flash Point | 155.6ºC |
| Exact Mass | 182.04000 |
| PSA | 62.60000 |
| LogP | 2.03560 |
| Vapour Pressure | 5.31E-05mmHg at 25°C |
| Index of Refraction | 1.596 |
| InChIKey | AKYCOAMUNLESIH-UHFFFAOYSA-N |
| SMILES | CSc1cccc(CC(=O)O)c1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-(Methylthio)p... CAS#:18698-73-2 |
| Literature: Journal of Medicinal Chemistry, , vol. 36, # 16 p. 2279 - 2291 |
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3-(Methylthio)p... CAS#:18698-73-2 |
| Literature: EP1199307 A1, ; Page 14 ; |
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.
| MFCD03701554 |
| 3-(Carboxymethyl)thioanisole |
| 3-(Methylthio)phenyl acetic acid |
| m-Methylmercaptophenylessigsaeure |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2-(3-methylsulfanylphenyl)acetic acid? |
| A: Polar surface area (PSA) of 2-(3-methylsulfanylphenyl)acetic acid is 62.60000. |
| Q: What is the InChIKey of 2-(3-methylsulfanylphenyl)acetic acid? |
| A: InChIKey of 2-(3-methylsulfanylphenyl)acetic acid is AKYCOAMUNLESIH-UHFFFAOYSA-N. |
| Q: What is the CAS number of 2-(3-methylsulfanylphenyl)acetic acid? |
| A: CAS number of 2-(3-methylsulfanylphenyl)acetic acid is 18698-73-2. |
| Q: What English synonyms does 2-(3-methylsulfanylphenyl)acetic acid have? |
| A: English synonyms of 2-(3-methylsulfanylphenyl)acetic acid: MFCD03701554, 3-(Carboxymethyl)thioanisole, 3-(Methylthio)phenyl acetic acid, m-Methylmercaptophenylessigsaeure. |
| Q: What are the upstream materials of 2-(3-methylsulfanylphenyl)acetic acid? |
| A: Related upstream materials(CAS) of 2-(3-methylsulfanylphenyl)acetic acid: 52913-11-8;26385-24-0. |
| Q: What is the melting point of 2-(3-methylsulfanylphenyl)acetic acid? |
| A: Melting point of 2-(3-methylsulfanylphenyl)acetic acid is 77-81ºC(lit.). |
| Q: What is the SMILES notation of 2-(3-methylsulfanylphenyl)acetic acid? |
| A: SMILES notation of 2-(3-methylsulfanylphenyl)acetic acid is CSc1cccc(CC(=O)O)c1. |
| Q: What is the boiling point of 2-(3-methylsulfanylphenyl)acetic acid? |
| A: Boiling point of 2-(3-methylsulfanylphenyl)acetic acid is 333.7ºC at 760mmHg. |
| Q: What is the molecular weight of 2-(3-methylsulfanylphenyl)acetic acid? |
| A: Molecular weight of 2-(3-methylsulfanylphenyl)acetic acid is 182.23900. |
| Q: What is the LogP of 2-(3-methylsulfanylphenyl)acetic acid? |
| A: LogP of 2-(3-methylsulfanylphenyl)acetic acid is 2.03560. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |