3-P-TOLYLSULFANYL-PROPIONIC ACID ETHYL ESTER
3-P-TOLYLSULFANYL-PROPIONIC ACID ETHYL ESTER structure
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Common Name | 3-P-TOLYLSULFANYL-PROPIONIC ACID ETHYL ESTER | ||
|---|---|---|---|---|
| CAS Number | 85169-05-7 | Molecular Weight | 224.31900 | |
| Density | 1.09g/cm3 | Boiling Point | 321.3ºC at 760 mmHg | |
| Molecular Formula | C12H16O2S | Melting Point | 56-57ºC | |
| MSDS | N/A | Flash Point | 145.6ºC | |
Summary: Ethyl 3-(4-methylphenyl)sulfanylpropanoate (Chinese name: 3-苯硫醚基-丙酸乙酯, CAS number: 85169-05-7, molecular formula: C12H16O2S, molecular weight: 224.31900), melting point 56-57°C, boiling point 321.3°C, density 1.09g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 3-(4-methylphenyl)sulfanylpropanoate |
|---|---|
| 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 | 1.09g/cm3 |
|---|---|
| Boiling Point | 321.3ºC at 760 mmHg |
| Melting Point | 56-57ºC |
| Molecular Formula | C12H16O2S |
| Molecular Weight | 224.31900 |
| Flash Point | 145.6ºC |
| Exact Mass | 224.08700 |
| PSA | 51.60000 |
| LogP | 3.04030 |
| Index of Refraction | 1.538 |
| InChIKey | JHQSBVMORQJICP-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CCSc1ccc(C)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
3-P-TOLYLSULFAN... CAS#:85169-05-7 |
| Literature: Song, Yingying; Jing, Huanwang; Li, Bo; Bai, Dongsheng Chemistry - A European Journal, 2011 , vol. 17, # 31 p. 8731 - 8738 |
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~84%
3-P-TOLYLSULFAN... CAS#:85169-05-7 |
| Literature: Shi, Daqing; Lu, Zaisheng; Mu, Lailong; Dai, Guiyuan Synthetic Communications, 1998 , vol. 28, # 6 p. 1073 - 1078 |
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~90%
3-P-TOLYLSULFAN... CAS#:85169-05-7 |
| Literature: Xu, Xiao Bo; Yin, Xian Hong; Zhu, Yu Yang; Xu, Xin Hua; Luo, Tao; Li, Yin Hui; Lu, Xiong; Shao, Ling Ling; Pan, Jian Gao; Yang, Rong Hua Journal of Chemical Research, 2009 , # 12 p. 750 - 752 |
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~71%
3-P-TOLYLSULFAN... CAS#:85169-05-7 |
| Literature: Hamed, Ezzat E.; El-Bardan, A. A.; Moussa, Adel M. Phosphorus, Sulfur and Silicon and the Related Elements, 1991 , vol. 62, # 14 p. 269 - 274 |
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~%
3-P-TOLYLSULFAN... CAS#:85169-05-7 |
| Literature: Delisle; Schwalm Chemische Berichte, 1892 , vol. 25, p. 2983 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 5 | |
CAS#:934-72-5
CAS#:1519-39-7
CAS#:5056-07-5![Propanoic acid,3-[(4-methylphenyl)thio] structure](https://image.chemsrc.com/caspic/107/13739-35-0.png)
CAS#:13739-35-0
CAS#:67764-21-0This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-p-Tolylmercapto-propionsaeure-aethylester |
| 3-[(4-methylphenyl)sulfanyl]propanoic acid ethyl ester |
| ethyl 3-[(4-methylphenyl)thio]propionate |
| 3-p-tolylsulfanyl-propionic acid ethyl ester |
| EINECS 285-949-0 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of ethyl 3-(4-methylphenyl)sulfanylpropanoate? |
| A: Boiling point of ethyl 3-(4-methylphenyl)sulfanylpropanoate is 321.3ºC at 760 mmHg. |
| Q: What are the upstream materials of ethyl 3-(4-methylphenyl)sulfanylpropanoate? |
| A: Related upstream materials(CAS) of ethyl 3-(4-methylphenyl)sulfanylpropanoate: 106-45-6;140-88-5;98-59-9;103-19-5;539-74-2;10486-08-5;6414-69-3. |
| Q: What are the downstream products of ethyl 3-(4-methylphenyl)sulfanylpropanoate? |
| A: Related downstream products(CAS) of ethyl 3-(4-methylphenyl)sulfanylpropanoate: 934-72-5;1519-39-7;5056-07-5;13739-35-0;67764-21-0. |
| Q: What is the polar surface area (PSA) of ethyl 3-(4-methylphenyl)sulfanylpropanoate? |
| A: Polar surface area (PSA) of ethyl 3-(4-methylphenyl)sulfanylpropanoate is 51.60000. |
| Q: What is the CAS number of ethyl 3-(4-methylphenyl)sulfanylpropanoate? |
| A: CAS number of ethyl 3-(4-methylphenyl)sulfanylpropanoate is 85169-05-7. |
| Q: What is the English name of ethyl 3-(4-methylphenyl)sulfanylpropanoate? |
| A: The English name of ethyl 3-(4-methylphenyl)sulfanylpropanoate is ethyl 3-(4-methylphenyl)sulfanylpropanoate. |
| Q: What is the molecular weight of ethyl 3-(4-methylphenyl)sulfanylpropanoate? |
| A: Molecular weight of ethyl 3-(4-methylphenyl)sulfanylpropanoate is 224.31900. |
| Q: What is the SMILES notation of ethyl 3-(4-methylphenyl)sulfanylpropanoate? |
| A: SMILES notation of ethyl 3-(4-methylphenyl)sulfanylpropanoate is CCOC(=O)CCSc1ccc(C)cc1. |
| Q: What is the molecular formula of ethyl 3-(4-methylphenyl)sulfanylpropanoate? |
| A: Molecular formula of ethyl 3-(4-methylphenyl)sulfanylpropanoate is C12H16O2S. |
| Q: What is the InChIKey of ethyl 3-(4-methylphenyl)sulfanylpropanoate? |
| A: InChIKey of ethyl 3-(4-methylphenyl)sulfanylpropanoate is JHQSBVMORQJICP-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |